Geometry & MOs

Info

ID:	70409
PubChem CID:	48413308
Reduced:	SN3O4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	356.059756
ΔH_f, kcal/mol:	-80.54
Dipole, Da:	5.78
IP(EA), eV:	-8.02(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(4-chloro-3-cyanophenyl)sulfonyl-cyclopropylamino]propanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N(CC2=C(C=CC(=C2)OC)OC)C3=CN(N=C3)C)C

DOS

IR

Vibrations