Geometry & MOs

Info

ID:	34963
PubChem CID:	7979140
Reduced:	O3N4C24H26 (1)
Stoich.:	A3B4C24D26 (1)
Weight, g/mol:	396.150764
ΔH_f, kcal/mol:	-47.15
Dipole, Da:	3.04
IP(EA), eV:	-9.36(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one

Drug info:

PubChemData

Smile

C1CCC(C1)CCC(=O)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

DOS

IR

Vibrations