Geometry & MOs

Info

ID:	67446
PubChem CID:	46506492
Reduced:	N3O3H19C25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	363.161663
ΔH_f, kcal/mol:	51.78
Dipole, Da:	5.42
IP(EA), eV:	-8.58(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N=C2C(=CC3=CC=CC=C3O2)C4=NC(=NO4)C5=CC=C(C=C5)OC

DOS

IR

Vibrations