Geometry & MOs

Info

ID:	40572
PubChem CID:	8144352
Reduced:	OSF2N4H18C19 (1)
Stoich.:	ABC2D4E18F19 (1)
Weight, g/mol:	395.10929
ΔH_f, kcal/mol:	-25.16
Dipole, Da:	3.87
IP(EA), eV:	-8.47(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(2-methylphenyl)-3-(3-nitrophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide

Drug info:

PubChemData

Smile

C1COCCN1CN2C(=S)N(C(=N2)C3=CC=CC=C3)C4=C(C=C(C=C4)F)F

DOS

IR

Vibrations