Geometry & MOs

Info

ID:	335462
PubChem CID:	127254324
Reduced:	OSN2C9H9 (2)
Stoich.:	ABC2D9E9 (2)
Weight, g/mol:	406.164105
ΔH_f, kcal/mol:	16.12
Dipole, Da:	5.98
IP(EA), eV:	-8.64(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyphenyl)-5-oxo-N-[2-(4-oxoquinazolin-3-yl)ethyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC(=CC=C2)OC)C(=O)NC3=C4CSCC4=NN3C

DOS

IR

Vibrations