Geometry & MOs

Info

ID:	77570
PubChem CID:	49655518
Reduced:	N3O3C25H29 (1)
Stoich.:	A3B3C25D29 (1)
Weight, g/mol:	376.099397
ΔH_f, kcal/mol:	-87.98
Dipole, Da:	3.59
IP(EA), eV:	-8.85(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(=O)CC2(CCCCC2)CN3C=NC4=CC=CC=C4C3=O

DOS

IR

Vibrations