Geometry & MOs

Info

ID:	219571
PubChem CID:	85149255
Reduced:	SSi2N4O8C22H40 (1)
Stoich.:	AB2C4D8E22F40 (1)
Weight, g/mol:	577.238392
ΔH_f, kcal/mol:	-392.83
Dipole, Da:	4.07
IP(EA), eV:	-8.85(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-[[1-[2-[2-[(4-nitrophenoxy)carbonyl-propan-2-ylamino]acetyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C)[Si](C)(C)OCC1C2(C(C(O1)N3C=C(N=N3)C(=O)O)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C)[Si](C)(C)OCC1C2(C(C(O1)N3C=C(N=N3)C(=O)O)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):