Geometry & MOs

Info

ID:	88896
PubChem CID:	49957443
Reduced:	O2S2N3H11C12 (1)
Stoich.:	A2B2C3D11E12 (1)
Weight, g/mol:	439.102434
ΔH_f, kcal/mol:	-1.81
Dipole, Da:	5.81
IP(EA), eV:	-8.82(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-2-[(2-methoxybenzoyl)carbamothioylamino]-4-methylthiophene-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)NC(=S)NC2=NC=CS2

DOS

IR

Vibrations