Geometry & MOs

Info

ID:	140108
PubChem CID:	52649095
Reduced:	SN3O3C25H35 (1)
Stoich.:	AB3C3D25E35 (1)
Weight, g/mol:	422.145342
ΔH_f, kcal/mol:	-106.46
Dipole, Da:	3.26
IP(EA), eV:	-8.56(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)CC2=CC=CC=C2CNC(=O)CCC3=CC=C(C=C3)S(=O)(=O)NC)C

DOS

IR

Vibrations