Geometry & MOs

Info

ID:	189135
PubChem CID:	77821523
Reduced:	ION4C9H13 (1)
Stoich.:	ABC4D9E13 (1)
Weight, g/mol:	575.277755
ΔH_f, kcal/mol:	5.13
Dipole, Da:	3.8
IP(EA), eV:	-9.52(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-2,3-dioxopropyl)-3-[3,3-dimethyl-2-[(4-methyl-1-oxo-1-thiophen-2-ylpentan-3-yl)carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)I)C2CCNC(=O)N2

DOS

IR

Vibrations