Geometry & MOs

Info

ID:	221478
PubChem CID:	85273755
Reduced:	SN2O4C14H18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	310.181015
ΔH_f, kcal/mol:	-166.52
Dipole, Da:	6.25
IP(EA), eV:	-10.34(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(1,3-dimethyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl)prop-2-enyl]cyclopentan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C(C(=O)NC2=O)CC(C)C

DOS

IR

Vibrations