Geometry & MOs

Info

ID:	385612
PubChem CID:	134979543
Reduced:	SN2O7C18H26 (1)
Stoich.:	AB2C7D18E26 (1)
Weight, g/mol:	414.146072
ΔH_f, kcal/mol:	-233.19
Dipole, Da:	1.25
IP(EA), eV:	-9.52(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl N-[[(1R,6R)-6-formyl-3,6-dimethylcyclohex-2-en-1-yl]-methylsulfonylamino]-N-prop-2-enoxycarbonylcarbamate

Drug info:

PubChemData

Smile

CC1=C[C@@H]([C@](CC1)(C)C=O)N(N(C(=O)OCC=C)C(=O)OCC=C)S(=O)(=O)C

DOS

IR

Vibrations