Geometry & MOs

Info

ID:	32125
PubChem CID:	4266207
Reduced:	NOSH7C8 (3)
Stoich.:	ABCD7E8 (3)
Weight, g/mol:	403.04192
ΔH_f, kcal/mol:	8.3
Dipole, Da:	7.56
IP(EA), eV:	-8.48(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-bromo-5-hydroxy-1-methyl-2-(phenoxymethyl)indole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CSC3=NN(C(=S)S3)C4=CC=CC=C4

DOS

IR

Vibrations