Geometry & MOs

Info

ID:	70468
PubChem CID:	48413391
Reduced:	N2S2O6C15H22 (1)
Stoich.:	A2B2C6D15E22 (1)
Weight, g/mol:	368.140593
ΔH_f, kcal/mol:	-214.75
Dipole, Da:	2.65
IP(EA), eV:	-9.92(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(4-acetamidophenyl)sulfonyl-(cyclopropylmethyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(CC1CC1)S(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N

DOS

IR

Vibrations