Geometry & MOs

Info

ID:	29138
PubChem CID:	831848
Reduced:	ClSN4H9C11 (1)
Stoich.:	ABC4D9E11 (1)
Weight, g/mol:	350.130028
ΔH_f, kcal/mol:	73.03
Dipole, Da:	5.31
IP(EA), eV:	-8.91(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)NC(=S)NC2=NC=CC=N2

DOS

IR

Vibrations