Geometry & MOs

Info

ID:	39142
PubChem CID:	8139785
Reduced:	SN3O3C21H23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	397.146013
ΔH_f, kcal/mol:	-67.09
Dipole, Da:	2.62
IP(EA), eV:	-8.99(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2S[C@@H](C)C(=O)N(C)C

DOS

IR

Vibrations