Geometry & MOs

Info

ID:	67394
PubChem CID:	46506400
Reduced:	N2O2S2C19H22 (1)
Stoich.:	A2B2C2D19E22 (1)
Weight, g/mol:	320.06532
ΔH_f, kcal/mol:	-36.54
Dipole, Da:	5.41
IP(EA), eV:	-8.6(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[benzyl(methyl)carbamothioyl]amino]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CS1)NC(=S)N2CCC(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations