Geometry & MOs

Info

ID:	441559
PubChem CID:	135236136
Reduced:	N3S3O5H19C24 (1)
Stoich.:	A3B3C5D19E24 (1)
Weight, g/mol:	449.140927
ΔH_f, kcal/mol:	-91.33
Dipole, Da:	7.28
IP(EA), eV:	-8.73(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1-hydroxy-1-phenylethyl)phenyl]-6-(methanesulfonamido)indole-2-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC2=C(C=C1)C=C(N2C3=CC(=CC=C3)S(=O)(=O)C4=CC5=C(C=C4)SC=C5)C(=O)N

DOS

IR

Vibrations