Geometry & MOs

Info

ID:	169973
PubChem CID:	75175873
Reduced:	ClSN3O4C21H30 (1)
Stoich.:	ABC3D4E21F30 (1)
Weight, g/mol:	282.157957
ΔH_f, kcal/mol:	-144.98
Dipole, Da:	6.0
IP(EA), eV:	-8.62(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-hydroxycyclohexyl)carbamoylamino]cyclopentene-1-carboxylate

Drug info:

PubChemData

Smile

COCCCN(CC1NC2C(C(=CS2)C3=CC(=CC=C3)Cl)C(=O)N1)CC(COC)O

DOS

IR

Vibrations