Geometry & MOs

Info

ID:	59816
PubChem CID:	24898305
Reduced:	N2O4C9H18 (1)
Stoich.:	A2B4C9D18 (1)
Weight, g/mol:	667.350251
ΔH_f, kcal/mol:	-191.96
Dipole, Da:	3.61
IP(EA), eV:	-9.31(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-5-[[(1S)-2-(carboxymethylamino)-1-[4-[(E)-heptadec-10-enyl]-3,6-dihydroxy-2-methoxyphenyl]sulfanyl-2-oxoethyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C(CC(=O)OCOC(=O)CCCN)CN

DOS

IR

Vibrations