Geometry & MOs

Info

ID:	195201
PubChem CID:	78653834
Reduced:	O2N3H13C16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	417.151098
ΔH_f, kcal/mol:	27.51
Dipole, Da:	4.32
IP(EA), eV:	-8.65(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-(3-methyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-phenylpropanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)C(=CC2=CC=NC=C2)C#N

DOS

IR

Vibrations