Geometry & MOs

Info

ID:	188904
PubChem CID:	77781781
Reduced:	NC13H19 (1)
Stoich.:	AB13C19 (1)
Weight, g/mol:	677.247226
ΔH_f, kcal/mol:	22.13
Dipole, Da:	1.43
IP(EA), eV:	-8.79(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[carboxymethyl-[2-(4-phenoxyphenyl)-4-phenylpentyl]carbamoyl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dioxolane-2,2-dicarboxylic acid

Drug info:

PubChemData

Smile

C1CC2CCC(C1)N2CC3=CC=CC3

DOS

IR

Vibrations