Geometry & MOs

Info

ID:	224084
PubChem CID:	85337996
Reduced:	O5C36H58 (1)
Stoich.:	A5B36C58 (1)
Weight, g/mol:	572.227099
ΔH_f, kcal/mol:	-287.13
Dipole, Da:	3.2
IP(EA), eV:	-9.06(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yl)-3-[[1-[[4-[(2-methylbenzoyl)amino]phenyl]methyl]-2-oxopiperidin-3-yl]carbamoylamino]propanoic acid

Drug info:

PubChemData

Smile

CC1(CCC23CCC4(C(C2C1OC3)CCC5C4(CCC6C5(CCC(C6(C)C)OC(=O)CCCC(=O)OC)C)C)C)C

DOS

IR

Vibrations