Geometry & MOs

Info

ID:	140572
PubChem CID:	52720916
Reduced:	O3N5C20H30 (1)
Stoich.:	A3B5C20D30 (1)
Weight, g/mol:	422.247738
ΔH_f, kcal/mol:	-103.31
Dipole, Da:	22.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.789218
Charge, e:	1

Chem-info

IUPAC name:

[(1R,3R)-1-[[[3-(cyclopentylsulfamoyl)benzoyl]amino]methyl]-3-methylcyclohexyl]-dimethylazanium

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@](C1)(CNC(=O)C2=NC3=C(C=C2)C(=O)N(C(=O)N3C)C)[NH+](C)C

DOS

IR

Vibrations