Geometry & MOs

Info

ID:	243450
PubChem CID:	99222913
Reduced:	SN3O5C22H27 (1)
Stoich.:	AB3C5D22E27 (1)
Weight, g/mol:	354.090183
ΔH_f, kcal/mol:	-156.04
Dipole, Da:	3.49
IP(EA), eV:	-9.42(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-cyclopentyl-2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1CCCC1)NC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3

DOS

IR

Vibrations