Geometry & MOs

Info

ID:	44484
PubChem CID:	10503749
Reduced:	SN2O3C23H30 (1)
Stoich.:	AB2C3D23E30 (1)
Weight, g/mol:	450.06914
ΔH_f, kcal/mol:	-63.47
Dipole, Da:	1.37
IP(EA), eV:	-8.72(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)amino]-N-naphthalen-2-ylpropanamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCCN(C1)CCO/N=C(\C2=CC=CC=C2C)/C3=C(C=CS3)C

DOS

IR

Vibrations