Geometry & MOs

Info

ID:	245149
PubChem CID:	99437702
Reduced:	N3O4C25H27 (1)
Stoich.:	A3B4C25D27 (1)
Weight, g/mol:	458.198777
ΔH_f, kcal/mol:	-129.81
Dipole, Da:	9.8
IP(EA), eV:	-9.06(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[[4-[[2-(propylsulfonylamino)benzoyl]amino]phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)NC3=CC=C(C=C3)CN4CCC[C@H](C4)C(=O)N

DOS

IR

Vibrations