Geometry & MOs

Info

ID:	245166
PubChem CID:	99437720
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	444.183127
ΔH_f, kcal/mol:	-51.48
Dipole, Da:	3.96
IP(EA), eV:	-8.37(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[[4-[[2-(methanesulfonamido)-5-methylbenzoyl]amino]phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C(=O)NC2=CC=C(C=C2)CN3CCC[C@H](C3)C(=O)N

DOS

IR

Vibrations