Geometry & MOs

Info

ID:	385882
PubChem CID:	134980231
Reduced:	SN2O7C22H32 (1)
Stoich.:	AB2C7D22E32 (1)
Weight, g/mol:	428.161722
ΔH_f, kcal/mol:	-236.79
Dipole, Da:	5.76
IP(EA), eV:	-9.48(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=CCCC1=C[C@@H]([C@@H](CC1)C=O)N(N(C(=O)OCC=C)C(=O)OCC=C)S(=O)(=O)C)C

DOS

IR

Vibrations