Geometry & MOs

Info

ID:	156254
PubChem CID:	56369837
Reduced:	IO2N3C21H24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	410.141262
ΔH_f, kcal/mol:	-37.81
Dipole, Da:	3.8
IP(EA), eV:	-8.01(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]-5-nitro-1H-indole-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC2=CC=C(C=C2)NC(=O)CNC(=O)C3=CC=CC=C3I

DOS

IR

Vibrations