Geometry & MOs

Info

ID:	77937
PubChem CID:	49675198
Reduced:	SO2N3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	329.119798
ΔH_f, kcal/mol:	-11.87
Dipole, Da:	7.09
IP(EA), eV:	-8.48(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-phenylpropanoylamino)-N-(propan-2-ylideneamino)thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC2=CC(=NC3=CC=CC=C32)C(=O)N4CCSCC4

DOS

IR

Vibrations