Geometry & MOs

Info

ID:	335081
PubChem CID:	127253887
Reduced:	N4O6C35H40 (1)
Stoich.:	A4B6C35D40 (1)
Weight, g/mol:	433.236542
ΔH_f, kcal/mol:	-156.95
Dipole, Da:	4.16
IP(EA), eV:	-8.2(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-heptylbutanamide

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NC1=CC=CC2=C1C=CN2)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations