Geometry & MOs

Info

ID:	159439
PubChem CID:	57280172
Reduced:	ON4H14C17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	770.309784
ΔH_f, kcal/mol:	131.62
Dipole, Da:	6.07
IP(EA), eV:	-8.92(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[6,7-dimethoxy-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]quinazolin-4-yl]-1-(2-methyl-4-oxo-4-phenylbutanethioyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN2C3=CC=CC=C3C(=NC(C2=N1)N=O)C4=CC=CC=C4

DOS

IR

Vibrations