Geometry & MOs

Info

ID:	37131
PubChem CID:	8017263
Reduced:	N2S2O3C19H22 (1)
Stoich.:	A2B2C3D19E22 (1)
Weight, g/mol:	388.12792
ΔH_f, kcal/mol:	-87.93
Dipole, Da:	4.48
IP(EA), eV:	-8.68(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2,3-dimethylphenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CC(=CC=C3)OC

DOS

IR

Vibrations