Geometry & MOs

Info

ID:	237414
PubChem CID:	92719114
Reduced:	N3O5H17C21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	473.07726
ΔH_f, kcal/mol:	-134.64
Dipole, Da:	1.8
IP(EA), eV:	-9.38(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-methyl-N-[(1S)-1-phenylethyl]acetamide

Drug info:

PubChemData

Smile

C1CC(=O)NC2=C1C=C(C=C2)C(=O)COC(=O)CC3=NNC(=O)C4=CC=CC=C43

DOS

IR

Vibrations