Geometry & MOs

Info

ID:	70472
PubChem CID:	48413396
Reduced:	O2S2N5C16H21 (1)
Stoich.:	A2B2C5D16E21 (1)
Weight, g/mol:	398.151158
ΔH_f, kcal/mol:	-3.67
Dipole, Da:	4.51
IP(EA), eV:	-8.62(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(5-acetamido-2-methoxyphenyl)sulfonyl-(cyclopropylmethyl)amino]propanoate

Drug info:

PubChemData

Smile

CN(CCC#N)S(=O)(=O)NC1CCN(CC1)C2=NC3=CC=CC=C3S2

DOS

IR

Vibrations