Geometry & MOs

Info

ID:	38847
PubChem CID:	8138038
Reduced:	N2O2H6C7 (2)
Stoich.:	A2B2C6D7 (2)
Weight, g/mol:	383.130363
ΔH_f, kcal/mol:	1.52
Dipole, Da:	4.47
IP(EA), eV:	-9.35(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-ethyl-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=C/C(=O)NNC(=O)C2=CC=CN2)[N+](=O)[O-]

DOS

IR

Vibrations