Geometry & MOs

Info

ID:	234853
PubChem CID:	92303607
Reduced:	N3O3C25H33 (1)
Stoich.:	A3B3C25D33 (1)
Weight, g/mol:	396.150764
ΔH_f, kcal/mol:	-85.44
Dipole, Da:	4.86
IP(EA), eV:	-8.13(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpentanoate

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C(=CN2)[C@H](CC(=O)NCCN(C)C)C3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations