Geometry & MOs

Info

ID:	217770
PubChem CID:	85088359
Reduced:	O3N5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	397.101765
ΔH_f, kcal/mol:	-36.03
Dipole, Da:	9.08
IP(EA), eV:	-9.03(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[benzenesulfonyl(methyl)amino]-3-methylbutyl] benzenesulfonate

Drug info:

PubChemData

Smile

CCNC(=O)ON=C1C(=O)N(C2=CC=CC=C2C(=N1)N3CC4CCC(C3)CC4)C

DOS

IR

Vibrations