Geometry & MOs

Info

ID:	194941
PubChem CID:	78611219
Reduced:	SN2O3H20C22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	397.129451
ΔH_f, kcal/mol:	-35.91
Dipole, Da:	5.81
IP(EA), eV:	-8.81(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-[[3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enoylamino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CC(C)(C1=CC=CC=C1)C(=O)OCC(=O)C(=C2N(C3=CC=CC=C3S2)C)C#N

DOS

IR

Vibrations