Geometry & MOs

Info

ID:	175010
PubChem CID:	75845388
Reduced:	NSO4H12C13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	393.103479
ΔH_f, kcal/mol:	-54.6
Dipole, Da:	13.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.786623
Charge, e:	0

Chem-info

IUPAC name:

2-(4-benzamidophenyl)sulfanylethyl 3-(furan-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2C(=CSC2=NC1=O)C3CC3)[O-]

DOS

IR

Vibrations