Geometry & MOs

Info

ID:	417984
PubChem CID:	135103217
Reduced:	N2O3C13H20 (1)
Stoich.:	A2B3C13D20 (1)
Weight, g/mol:	752.389748
ΔH_f, kcal/mol:	-119.41
Dipole, Da:	6.31
IP(EA), eV:	-8.9(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,6S,9S,12S,19S)-3-benzyl-9-ethyl-6-[(1R)-1-hydroxyethyl]-2,5,8,11,18-pentaoxo-1,4,7,10,17-pentazabicyclo[17.3.0]docosan-12-yl]-2-(4-phenylphenyl)acetamide

Drug info:

PubChemData

Smile

C1CN(C[C@H]([C@H]1C(=O)O)O)CCCN2C=CC=C2

DOS

IR

Vibrations