Geometry & MOs

Info

ID:	64246
PubChem CID:	29198670
Reduced:	NO2C6H10 (2)
Stoich.:	AB2C6D10 (2)
Weight, g/mol:	433.182398
ΔH_f, kcal/mol:	-134.44
Dipole, Da:	3.0
IP(EA), eV:	-9.92(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

Drug info:

PubChemData

Smile

C[C@H]1CC(=O)[C@@H]([C@H]1C[N+](=O)[O-])CC(=O)NC(C)C

DOS

IR

Vibrations