Geometry & MOs

Info

ID:	385881
PubChem CID:	134980221
Reduced:	O7C27H32 (1)
Stoich.:	A7B27C32 (1)
Weight, g/mol:	468.193023
ΔH_f, kcal/mol:	-232.7
Dipole, Da:	2.5
IP(EA), eV:	-8.7(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl N-[[(1S,6R)-6-formyl-3-(4-methylpent-3-enyl)cyclohex-2-en-1-yl]-methylsulfonylamino]-N-prop-2-enoxycarbonylcarbamate

Drug info:

PubChemData

Smile

CC(=O)O[C@@H](COCC1=CC=CC=C1)/C=C/C=C/[C@H](COCC2=CC=C(C=C2)OC)OC(=O)C

DOS

IR

Vibrations