Geometry & MOs

Info

ID:	137340
PubChem CID:	52192281
Reduced:	OSF2N4C18H21 (1)
Stoich.:	ABC2D4E18F21 (1)
Weight, g/mol:	359.140055
ΔH_f, kcal/mol:	-98.35
Dipole, Da:	4.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.960624
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[(1R)-1-(3-chlorophenyl)ethyl]carbamoylamino]phenyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=[NH+]C=C(C=C2)CNC(=O)NC3=CC=CC=C3SC(F)F

DOS

IR

Vibrations