Geometry & MOs

Info

ID:	38900
PubChem CID:	8138134
Reduced:	SN2O5C20H22 (1)
Stoich.:	AB2C5D20E22 (1)
Weight, g/mol:	354.093975
ΔH_f, kcal/mol:	-176.62
Dipole, Da:	6.24
IP(EA), eV:	-8.93(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-2-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]ethyl]-4-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OCC(=O)OCC(=O)NC2=CC=CC=C2SCC(=O)N)C

DOS

IR

Vibrations