Geometry & MOs

Info

ID:	355056
PubChem CID:	127287917
Reduced:	SN2O2C14H20 (1)
Stoich.:	AB2C2D14E20 (1)
Weight, g/mol:	328.153541
ΔH_f, kcal/mol:	-83.95
Dipole, Da:	7.12
IP(EA), eV:	-9.5(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-5-oxo-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C1=CC=CS1)NC(=O)[C@H]2CCC(=O)N2

DOS

IR

Vibrations