Geometry & MOs

Info

ID:	157925
PubChem CID:	56459046
Reduced:	ON2C8H8 (3)
Stoich.:	AB2C8D8 (3)
Weight, g/mol:	411.136511
ΔH_f, kcal/mol:	-4.76
Dipole, Da:	9.13
IP(EA), eV:	-9.6(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylsulfonyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-2,3-dihydroindole-5-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC(C3=CC=CC=C3)C4=NNC(=N4)C)C

DOS

IR

Vibrations