Geometry & MOs

Info

ID:	140220
PubChem CID:	52664593
Reduced:	SN3O3C23H30 (1)
Stoich.:	AB3C3D23E30 (1)
Weight, g/mol:	427.192963
ΔH_f, kcal/mol:	-67.53
Dipole, Da:	9.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.774319
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[benzyl(cyclohexyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide

Drug info:

PubChemData

Smile

C1CCC(CC1)[NH+](CC2=CC=CC=C2)CC(=O)N3CCC4=C3C=CC(=C4)S(=O)(=O)N

DOS

IR

Vibrations