Geometry & MOs

Info

ID:	191817
PubChem CID:	78189968
Reduced:	NC5H7 (3)
Stoich.:	AB5C7 (3)
Weight, g/mol:	714.362865
ΔH_f, kcal/mol:	40.74
Dipole, Da:	3.6
IP(EA), eV:	-8.68(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[[3,4-dihydroxy-5-[(2-phenoxyacetyl)amino]-1,6-diphenylhexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoline-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C(CN2C1=NCC2CC3=CC=CC=C3)C

DOS

IR

Vibrations