Geometry & MOs

Info

ID:	271736
PubChem CID:	103690187
Reduced:	NO4C21H29 (1)
Stoich.:	AB4C21D29 (1)
Weight, g/mol:	389.09668
ΔH_f, kcal/mol:	-156.05
Dipole, Da:	6.46
IP(EA), eV:	-9.85(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-ethylsulfonylpropylsulfanyl)-2-(phenylmethoxycarbonylamino)propanoic acid

Drug info:

PubChemData

Smile

CC1(CCCC(CC1)(C(=O)O)N(C2CC2)C(=O)OCC3=CC=CC=C3)C

DOS

IR

Vibrations