Geometry & MOs

Info

ID:	165333
PubChem CID:	74534370
Reduced:	SN2O4C23H31 (1)
Stoich.:	AB2C4D23E31 (1)
Weight, g/mol:	438.130125
ΔH_f, kcal/mol:	-183.15
Dipole, Da:	4.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.835569
Charge, e:	-1

Chem-info

IUPAC name:

6-[[6-[N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]-1,3-benzodioxol-5-yl]carbamoyl]cyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)SC(=C2C(=O)NC3CCCC3)NC(=O)C4CCCCC4C(=O)[O-]

DOS

IR

Vibrations