Geometry & MOs

Info

ID:	162544
PubChem CID:	57395007
Reduced:	FISN2O3H16C17 (1)
Stoich.:	ABCD2E3F16G17 (1)
Weight, g/mol:	456.135304
ΔH_f, kcal/mol:	-123.99
Dipole, Da:	1.57
IP(EA), eV:	-9.02(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]methylideneamino]-1H-indole-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2=C(C(=O)NC1)SC(=C2C(=O)O)NC3=C(C=C(C=C3)I)F)C

DOS

IR

Vibrations