Geometry & MOs

Info

ID:	243513
PubChem CID:	99225674
Reduced:	S3N4O4C17H22 (1)
Stoich.:	A3B4C4D17E22 (1)
Weight, g/mol:	356.105833
ΔH_f, kcal/mol:	-104.31
Dipole, Da:	6.24
IP(EA), eV:	-8.72(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-cyclopentyl-2-[3-(2,3-dichlorophenyl)propanoylamino]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCSC)C(=O)NCC(=O)NC2=NC=CS2

DOS

IR

Vibrations