Geometry & MOs

Info

ID:	245162
PubChem CID:	99437716
Reduced:	SN4O5C21H26 (1)
Stoich.:	AB4C5D21E26 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-126.68
Dipole, Da:	7.72
IP(EA), eV:	-9.11(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[[4-[3-(2-methylanilino)propanoylamino]phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)CC2=CC=C(C=C2)NC(=O)C3=CC=C(O3)S(=O)(=O)NC4CC4)C(=O)N

DOS

IR

Vibrations