Geometry & MOs

Info

ID:	447225
PubChem CID:	135281311
Reduced:	N2O4C27H48 (1)
Stoich.:	A2B4C27D48 (1)
Weight, g/mol:	382.283158
ΔH_f, kcal/mol:	-235.81
Dipole, Da:	6.62
IP(EA), eV:	-9.61(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(dodecanoylamino)-6-(prop-2-enoylamino)hexanoic acid

Drug info:

PubChemData

Smile

CCCCCCCC/C=C/CCCCCCCC(=O)N[C@@H](CCCCNC(=O)C=C)C(=O)O

DOS

IR

Vibrations