Geometry & MOs

Info

ID:	194144
PubChem CID:	78491137
Reduced:	SO2N3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	417.053951
ΔH_f, kcal/mol:	-62.68
Dipole, Da:	4.34
IP(EA), eV:	-8.41(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzyl-[2,2,2-trichloro-1-[(3,4-dimethoxybenzoyl)amino]ethyl]azanium

Drug info:

PubChemData

Smile

CC1=C(N(C(=N1)SC(C)C(=O)NC2=CC=CC=C2OC)C3CCCC3)C

DOS

IR

Vibrations