Geometry & MOs

Info

ID:	131162
PubChem CID:	51167279
Reduced:	SN3O3C18H21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	365.094247
ΔH_f, kcal/mol:	-52.12
Dipole, Da:	2.83
IP(EA), eV:	-8.35(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-5-nitrophenyl)-2-[(4-fluorophenyl)methyl-methylamino]propanamide

Drug info:

PubChemData

Smile

CC1=CSC2=NC(=CC(=O)N12)CN(C)CC3=C(C(=CC=C3)OC)OC

DOS

IR

Vibrations