Geometry & MOs

Info

ID:	167616
PubChem CID:	74848213
Reduced:	SCl2O3N6C27H36 (1)
Stoich.:	AB2C3D6E27F36 (1)
Weight, g/mol:	489.185255
ΔH_f, kcal/mol:	-78.47
Dipole, Da:	3.07
IP(EA), eV:	-8.89(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-fluorophenyl)methyl]-N-phenyl-5-(3-phenylprop-2-enoylamino)indole-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCC2=CC=CC=C2)CC3CC(=O)NC(N3)N4CCN(CC4)S(=O)(=O)C5=C(C=CC(=C5)Cl)Cl

DOS

IR

Vibrations