Geometry & MOs

Info

ID:	414012
PubChem CID:	135086965
Reduced:	ClSO3N4C17H19 (1)
Stoich.:	ABC3D4E17F19 (1)
Weight, g/mol:	410.163043
ΔH_f, kcal/mol:	-66.64
Dipole, Da:	4.73
IP(EA), eV:	-9.07(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethynyl]-1-methylindole-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCO)S(=O)(=O)C2=CC3=C(C=C2)NC4=NC=CC(=C34)Cl

DOS

IR

Vibrations