Geometry & MOs

Info

ID:	161390
PubChem CID:	57391522
Reduced:	FISN3O4C19H21 (1)
Stoich.:	ABCD3E4F19G21 (1)
Weight, g/mol:	534.04582
ΔH_f, kcal/mol:	-133.19
Dipole, Da:	2.11
IP(EA), eV:	-8.86(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-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)NOCCO)NC3=C(C=C(C=C3)I)F)C

DOS

IR

Vibrations