Geometry & MOs

Info

ID:	195709
PubChem CID:	78726440
Reduced:	ClN2O6H17C18 (1)
Stoich.:	AB2C6D17E18 (1)
Weight, g/mol:	411.136511
ΔH_f, kcal/mol:	-108.72
Dipole, Da:	5.15
IP(EA), eV:	-10.05(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone

Drug info:

PubChemData

Smile

CC(C1CC1)NC(=O)COC(=O)C2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

DOS

IR

Vibrations