Geometry & MOs

Info

ID:	300451
PubChem CID:	121283517
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	525.979096
ΔH_f, kcal/mol:	-109.26
Dipole, Da:	2.13
IP(EA), eV:	-8.5(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[3-chloro-5-(2,4-difluorophenyl)phenyl]-5-(methanesulfonamido)-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1(CN(CC2=C1C=CC=C2N)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations