Geometry & MOs

Info

ID:	62855
PubChem CID:	26737276
Reduced:	ClFSN2O4C18H18 (1)
Stoich.:	ABCD2E4F18G18 (1)
Weight, g/mol:	380.077514
ΔH_f, kcal/mol:	-168.14
Dipole, Da:	6.66
IP(EA), eV:	-8.23(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methoxyphenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)[C@H]2CCCN2S(=O)(=O)C3=CC=C(C=C3)F)Cl

DOS

IR

Vibrations