Geometry & MOs

Info

ID:	67396
PubChem CID:	46506403
Reduced:	OSN2C8H9 (2)
Stoich.:	ABC2D8E9 (2)
Weight, g/mol:	403.07574
ΔH_f, kcal/mol:	-7.48
Dipole, Da:	2.03
IP(EA), eV:	-8.71(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(4-chlorophenyl)carbamothioylamino]-5-methoxy-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CS1)NC(=S)N2CCN(CC2)C3=CC=CC=N3

DOS

IR

Vibrations