Geometry & MOs

Info

ID:	435563
PubChem CID:	135191813
Reduced:	O2C17H30 (1)
Stoich.:	A2B17C30 (1)
Weight, g/mol:	815.17368
ΔH_f, kcal/mol:	-149.93
Dipole, Da:	2.19
IP(EA), eV:	-10.2(1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-(carboxymethoxy)-5-[3-[[1-[4-(ethylcarbamoyl)phenyl]triazol-4-yl]methyl-[[1-(phenylcarbamoyl)piperidin-4-yl]methyl]amino]phenyl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1CC2CCC(CC(C2)C1)(C)OC(=O)CC

DOS

IR

Vibrations