Geometry & MOs

Info

ID:	302660
PubChem CID:	124391760
Reduced:	SCl2O3N5H19C21 (1)
Stoich.:	AB2C3D5E19F21 (1)
Weight, g/mol:	469.175004
ΔH_f, kcal/mol:	38.85
Dipole, Da:	7.67
IP(EA), eV:	-9.13(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-[1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]methylideneamino]-2-(2-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

C[C@H](C1=NN=C(N1CC=C)SCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations