Geometry & MOs

Info

ID:	156047
PubChem CID:	56368903
Reduced:	SO4N5C21H21 (1)
Stoich.:	AB4C5D21E21 (1)
Weight, g/mol:	469.203528
ΔH_f, kcal/mol:	2.12
Dipole, Da:	10.05
IP(EA), eV:	-9.28(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[4-[3-[[(4-methylphenyl)sulfonylamino]methyl]piperidine-1-carbonyl]phenyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)COC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations