Geometry & MOs

Info

ID:	271477
PubChem CID:	103680666
Reduced:	SN2O4C16H30 (1)
Stoich.:	AB2C4D16E30 (1)
Weight, g/mol:	457.155909
ΔH_f, kcal/mol:	-217.71
Dipole, Da:	4.78
IP(EA), eV:	-9.22(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-ethoxy-1-oxobutan-2-yl)sulfanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Drug info:

PubChemData

Smile

CC(CS(=O)(=O)C)NC1CC2CCC(C1)N2C(=O)OC(C)(C)C

DOS

IR

Vibrations