Geometry & MOs

Info

ID:	67449
PubChem CID:	46506498
Reduced:	SO3N4C23H32 (1)
Stoich.:	AB3C4D23E32 (1)
Weight, g/mol:	397.146013
ΔH_f, kcal/mol:	-91.78
Dipole, Da:	7.74
IP(EA), eV:	-8.03(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[benzyl(methyl)carbamothioyl]amino]-5-methoxy-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=S)N3CCC(CC3)N4CCCCC4

DOS

IR

Vibrations