Geometry & MOs

Info

ID:	229901
PubChem CID:	87569482
Reduced:	O2C7H13 (2)
Stoich.:	A2B7C13 (2)
Weight, g/mol:	425.011616
ΔH_f, kcal/mol:	-227.44
Dipole, Da:	3.29
IP(EA), eV:	-10.79(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[1-[(3,4-dichlorophenyl)methyl]-5-methyltriazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid

Drug info:

PubChemData

Smile

CCC(CC)COC(=O)CCCCCC(=O)OC

DOS

IR

Vibrations