Geometry & MOs

Info

ID:	31737
PubChem CID:	3288077
Reduced:	FSN2O2C26H27 (1)
Stoich.:	ABC2D2E26F27 (1)
Weight, g/mol:	543.105326
ΔH_f, kcal/mol:	-72.75
Dipole, Da:	2.17
IP(EA), eV:	-9.16(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-prop-2-enylsulfamoyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CCC(C)N(CC(=O)N1CCC2=C(C1C3=CC=CC=C3)C=CS2)C(=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations