Geometry & MOs

Info

ID:	67450
PubChem CID:	46506500
Reduced:	SN3O3C21H23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	409.146013
ΔH_f, kcal/mol:	-53.63
Dipole, Da:	4.56
IP(EA), eV:	-8.13(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-5-methoxy-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=S)N(C)CC3=CC=CC=C3

DOS

IR

Vibrations