Geometry & MOs

Info

ID:	174573
PubChem CID:	75787999
Reduced:	NSCl2O2C15H21 (1)
Stoich.:	ABC2D2E15F21 (1)
Weight, g/mol:	528.175264
ΔH_f, kcal/mol:	-102.52
Dipole, Da:	1.21
IP(EA), eV:	-8.64(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-tert-butyl-3-[(1,1-dioxothiolan-3-yl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-methyl-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CSCCNC(=O)C(C)OC1=C(C=C(C=C1)Cl)Cl

DOS

IR

Vibrations