Geometry & MOs

Info

ID:	155837
PubChem CID:	56367752
Reduced:	BrO2N3Cl4H8C14 (1)
Stoich.:	AB2C3D4E8F14 (1)
Weight, g/mol:	411.025597
ΔH_f, kcal/mol:	-44.84
Dipole, Da:	5.13
IP(EA), eV:	-9.02(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]-2-(5-nitroindol-1-yl)acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)Br)NC(=O)C2=NC(=C(C(=C2Cl)Cl)Cl)Cl

DOS

IR

Vibrations