Geometry & MOs

Info

ID:	141485
PubChem CID:	52881683
Reduced:	O2N4C27H40 (1)
Stoich.:	A2B4C27D40 (1)
Weight, g/mol:	382.196
ΔH_f, kcal/mol:	-62.66
Dipole, Da:	2.49
IP(EA), eV:	-8.02(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[4-(3-methylbutylsulfonylamino)cyclohexyl]butane-1-sulfonamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=C(C=C1)N2CCOCC2)[NH+]3CCC(CC3)C[NH+](C)CC4=CC=CC=C4

DOS

IR

Vibrations