Geometry & MOs

Info

ID:	222103
PubChem CID:	85294131
Reduced:	ClSSi2N4O4C26H45 (1)
Stoich.:	ABC2D4E4F26G45 (1)
Weight, g/mol:	601.23015
ΔH_f, kcal/mol:	-301.58
Dipole, Da:	7.2
IP(EA), eV:	-9.02(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[2-[[1-[(2-acetamidopropanoylamino)methyl-hydroxyphosphoryl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]phenyl]acetic 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)[Si]1(OCC2C(C(C(O2)N3C=NC4=C3C(=NC=N4)Cl)SC(C)(C)C)O[Si](O1)(C(C)C)C(C)C)C(C)C

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)[Si]1(OCC2C(C(C(O2)N3C=NC4=C3C(=NC=N4)Cl)SC(C)(C)C)O[Si](O1)(C(C)C)C(C)C)C(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):