Geometry & MOs

Info

ID:	84115
PubChem CID:	49864287
Reduced:	N2O3C29H36 (1)
Stoich.:	A2B3C29D36 (1)
Weight, g/mol:	435.198048
ΔH_f, kcal/mol:	-101.94
Dipole, Da:	5.82
IP(EA), eV:	-8.71(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-N-[3-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CCCCCN1C=C(C(=O)C2=C1C=CC(=C2)C3=CC=CO3)C(=O)N[C@@H]4[C@@]5(CC[C@@H](C5)C4(C)C)C

DOS

IR

Vibrations