Geometry & MOs

Info

ID:	68812
PubChem CID:	46509139
Reduced:	ClN3O4H22C24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	496.123898
ΔH_f, kcal/mol:	-97.44
Dipole, Da:	2.39
IP(EA), eV:	-8.43(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-indol-3-yl)-1-[[3-(methanesulfonamido)phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CO4

DOS

IR

Vibrations