Geometry & MOs

Info

ID:	33643
PubChem CID:	7887323
Reduced:	ClO2N3C19H29 (1)
Stoich.:	AB2C3D19E29 (1)
Weight, g/mol:	358.062343
ΔH_f, kcal/mol:	-83.42
Dipole, Da:	10.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758084
Charge, e:	0

Chem-info

IUPAC name:

[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)C(=O)[C@@H](C)[NH+](C)CC(=O)NC2=CC=C(C=C2)Cl)C

DOS

IR

Vibrations