Geometry & MOs

Info

ID:	177961
PubChem CID:	76258948
Reduced:	S2F3O3N4H13C18 (1)
Stoich.:	A2B3C3D4E13F18 (1)
Weight, g/mol:	374.12019
ΔH_f, kcal/mol:	-138.57
Dipole, Da:	7.85
IP(EA), eV:	-9.39(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-nitroanilino)-N-[2-oxo-5-(trifluoromethyl)piperidin-3-yl]propanamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC3=NC(=NC(=O)C23)CSCC(=O)N=C4C=C(C=NC4=O)C(F)(F)F

DOS

IR

Vibrations