Geometry & MOs

Info

ID:	219098
PubChem CID:	85090513
Reduced:	NO5C33H63 (1)
Stoich.:	AB5C33D63 (1)
Weight, g/mol:	554.198777
ΔH_f, kcal/mol:	-348.21
Dipole, Da:	6.23
IP(EA), eV:	-10.36(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[(2-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-(1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamoylamino]benzoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=CCC(CCCCCCCCCCCC(=O)N)(CO)O)C(=O)O

DOS

IR

Vibrations