Geometry & MOs

Info

ID:	39145
PubChem CID:	8139788
Reduced:	FON2C19H21 (1)
Stoich.:	ABC2D19E21 (1)
Weight, g/mol:	397.146013
ΔH_f, kcal/mol:	-31.83
Dipole, Da:	3.67
IP(EA), eV:	-8.85(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-ethyl-2-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)/C=C/C2=CC(=CC=C2)F

DOS

IR

Vibrations