Geometry & MOs

Info

ID:	140021
PubChem CID:	52632787
Reduced:	ClSN2O2C25H25 (1)
Stoich.:	ABC2D2E25F25 (1)
Weight, g/mol:	423.219178
ΔH_f, kcal/mol:	-33.63
Dipole, Da:	4.17
IP(EA), eV:	-9.4(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-[(3S)-3-(methanesulfonamidomethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N2CCC[C@@H](C2)C(=O)N[C@@H](C3=CC=C(C=C3)Cl)C4=CC=CS4

DOS

IR

Vibrations