Geometry & MOs

Info

ID:	436400
PubChem CID:	135199861
Reduced:	N2O7C13H22 (1)
Stoich.:	A2B7C13D22 (1)
Weight, g/mol:	726.297304
ΔH_f, kcal/mol:	-349.46
Dipole, Da:	4.53
IP(EA), eV:	-10.11(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2S)-1-[[2-[(2S)-2-[[2-[[(1S)-2-amino-1-cyclohexyl-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-4-oxopyrrolidin-1-yl]-2-oxoethyl]amino]-6-(cyclopropylamino)-1,5,6-trioxohexan-2-yl]carbamoyl]pyridine-3-carboxylic 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(=O)OC(CC[C@@H](C(=O)O)NC(=O)OC(C)(C)C)C(=O)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(=O)OC(CC[C@@H](C(=O)O)NC(=O)OC(C)(C)C)C(=O)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):