Geometry & MOs

Info

ID:	435261
PubChem CID:	135187033
Reduced:	ClN2S2O4H19C21 (1)
Stoich.:	AB2C2D4E19F21 (1)
Weight, g/mol:	448.097204
ΔH_f, kcal/mol:	-123.95
Dipole, Da:	8.73
IP(EA), eV:	-8.72(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C(C1)C(=O)NC2=C(C3=CSC=C3S2)C(=O)NC4=CC=C(C=C4)Cl)C(=O)O

DOS

IR

Vibrations