Geometry & MOs

Info

ID:	402191
PubChem CID:	135054842
Reduced:	O2C13H18 (1)
Stoich.:	A2B13C18 (1)
Weight, g/mol:	518.335587
ΔH_f, kcal/mol:	-82.42
Dipole, Da:	2.77
IP(EA), eV:	-8.7(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S,3S,4Z)-2-(dodecanoylamino)-4-ethoxycarbonylimino-4-(4-methoxyphenyl)-3-methylbutanoate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C(C1)C(=O)OC)C)C)C

DOS

IR

Vibrations