Geometry & MOs

Info

ID:	417702
PubChem CID:	135102525
Reduced:	ClSO2N3C16H20 (1)
Stoich.:	ABC2D3E16F20 (1)
Weight, g/mol:	549.331505
ΔH_f, kcal/mol:	-50.07
Dipole, Da:	1.36
IP(EA), eV:	-8.69(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,7R,10S,13S,15R)-3-(1H-indol-3-ylmethyl)-7-methyl-2,5,12-trioxo-10-propan-2-yl-1,4,11-triazabicyclo[11.3.0]hexadecan-15-yl]cyclobutanecarboxamide

Drug info:

PubChemData

Smile

CN1C=NC=C1CN(CCO)C(=O)CSCC2=CC=CC=C2Cl

DOS

IR

Vibrations