Geometry & MOs

Info

ID:	39250
PubChem CID:	8139979
Reduced:	O2S2N3C19H27 (1)
Stoich.:	A2B2C3D19E27 (1)
Weight, g/mol:	381.151098
ΔH_f, kcal/mol:	-58.61
Dipole, Da:	5.1
IP(EA), eV:	-8.96(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethylpropanamide

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)CCCCCN2C(=O)CSC2=S

DOS

IR

Vibrations