Geometry & MOs

Info

ID:	216824
PubChem CID:	85086834
Reduced:	NSO4C15H15 (1)
Stoich.:	ABC4D15E15 (1)
Weight, g/mol:	305.162708
ΔH_f, kcal/mol:	-71.36
Dipole, Da:	5.31
IP(EA), eV:	-9.05(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-(methoxycarbonylamino)-2,5-dimethyl-6-phenylhex-3-enoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=NOCCC(=O)O)C2=CC=CS2

DOS

IR

Vibrations