Geometry & MOs

Info

ID:	245200
PubChem CID:	99437867
Reduced:	O3N4C21H30 (1)
Stoich.:	A3B4C21D30 (1)
Weight, g/mol:	470.084925
ΔH_f, kcal/mol:	-123.09
Dipole, Da:	2.53
IP(EA), eV:	-8.77(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[[4-[[2-[(5-chlorothiophen-2-yl)sulfonylamino]acetyl]amino]phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)CN2CCC[C@@H](C2)C(=O)N)NC(=O)C3CCC3

DOS

IR

Vibrations