Geometry & MOs

Info

ID:	128228
PubChem CID:	51036707
Reduced:	FN2O2C19H21 (1)
Stoich.:	AB2C2D19E21 (1)
Weight, g/mol:	602.152132
ΔH_f, kcal/mol:	-96.19
Dipole, Da:	3.66
IP(EA), eV:	-9.54(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[5-[cyclopropylmethyl-(2,3-dichlorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]-2,6-dimethylphenoxy]ethyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C2=CN=C(C=C2)OCC3=CC(=CC=C3)F

DOS

IR

Vibrations