Geometry & MOs

Info

ID:	176578
PubChem CID:	76068514
Reduced:	O7C23H28 (1)
Stoich.:	A7B23C28 (1)
Weight, g/mol:	502.344044
ΔH_f, kcal/mol:	-318.71
Dipole, Da:	0.96
IP(EA), eV:	-8.73(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-acetamido-3-octadecylsulfanylpropanoyl)amino]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

CC(=O)OC1CC2C3COC4=C(C3CCC2(C1OC(=O)C)C)C=CC(=C4)OC(=O)C

DOS

IR

Vibrations