Geometry & MOs

Info

ID:	195269
PubChem CID:	78667397
Reduced:	N4O4C21H26 (1)
Stoich.:	A4B4C21D26 (1)
Weight, g/mol:	341.099811
ΔH_f, kcal/mol:	-47.77
Dipole, Da:	5.8
IP(EA), eV:	-8.92(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)C(C)C(=O)NC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations