Geometry & MOs

Info

ID:	435541
PubChem CID:	135191773
Reduced:	NSCl2F2O3H7C14 (1)
Stoich.:	ABC2D2E3F7G14 (1)
Weight, g/mol:	448.203193
ΔH_f, kcal/mol:	-150.05
Dipole, Da:	3.09
IP(EA), eV:	-9.72(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-[(4-methoxycyclohexyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Cl)OC=C2S(=O)(=O)NC3=CC(=C(C=C3F)Cl)F

DOS

IR

Vibrations