Geometry & MOs

Info

ID:	39141
PubChem CID:	8139784
Reduced:	ClN2O2C19H23 (1)
Stoich.:	AB2C2D19E23 (1)
Weight, g/mol:	397.146013
ΔH_f, kcal/mol:	-54.63
Dipole, Da:	2.1
IP(EA), eV:	-8.64(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)OCC(=O)NCC2=CC=CC=C2CN(C)C

DOS

IR

Vibrations