Geometry & MOs

Info

ID:	34966
PubChem CID:	7979143
Reduced:	N2O5C11H12 (1)
Stoich.:	A2B5C11D12 (1)
Weight, g/mol:	396.150764
ΔH_f, kcal/mol:	-182.44
Dipole, Da:	4.17
IP(EA), eV:	-9.13(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)OCC(=O)NC(=O)N

DOS

IR

Vibrations