Geometry & MOs

Info

ID:	192526
PubChem CID:	78280169
Reduced:	ClN2O6H15C18 (1)
Stoich.:	AB2C6D15E18 (1)
Weight, g/mol:	479.172857
ΔH_f, kcal/mol:	-115.05
Dipole, Da:	10.92
IP(EA), eV:	-9.4(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylazanium

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C=CC(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations