Geometry & MOs

Info

ID:	70459
PubChem CID:	48413380
Reduced:	SN2O6C16H22 (1)
Stoich.:	AB2C6D16E22 (1)
Weight, g/mol:	388.112664
ΔH_f, kcal/mol:	-154.15
Dipole, Da:	5.32
IP(EA), eV:	-9.95(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-(cyclopropylmethyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(CC1CC1)S(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

DOS

IR

Vibrations