Geometry & MOs

Info

ID:	366572
PubChem CID:	127320101
Reduced:	O2N3C21H31 (1)
Stoich.:	A2B3C21D31 (1)
Weight, g/mol:	395.187878
ΔH_f, kcal/mol:	-87.21
Dipole, Da:	6.32
IP(EA), eV:	-8.42(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-hydroxycyclohexyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide

Drug info:

PubChemData

Smile

CC(C(=O)NC(CN1CCCC1=O)C2=CC=CC=C2)N3CCCCCC3

DOS

IR

Vibrations