Geometry & MOs

Info

ID:	70469
PubChem CID:	48413392
Reduced:	SN2O5C17H24 (1)
Stoich.:	AB2C5D17E24 (1)
Weight, g/mol:	336.114378
ΔH_f, kcal/mol:	-194.71
Dipole, Da:	6.28
IP(EA), eV:	-9.53(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(3-cyanophenyl)sulfonyl-(cyclopropylmethyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(CC1CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

DOS

IR

Vibrations