Geometry & MOs

Info

ID:	33961
PubChem CID:	7889022
Reduced:	N2O4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	400.109293
ΔH_f, kcal/mol:	-108.82
Dipole, Da:	3.18
IP(EA), eV:	-8.66(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-morpholin-4-ylsulfonylphenyl)methyl 1H-indole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CN(C)C(=O)COC(=O)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations