Geometry & MOs

Info

ID:

188873

PubChem CID:

77778010

Reduced:

O3C23H26 (1)

Stoich.:

A3B23C26 (1)

Weight, g/mol:

726.27886

ΔHf, kcal/mol:

-59.92

Dipole, Da:

2.13

IP(EA), eV:

 -9.28(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[3-(1,3-benzodioxol-5-yl)-4-[5-(phenylcarbamoyl)furan-2-yl]butan-2-yl]-(2-phenoxyethyl)amino]-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopent-3-enoic acid

Drug info:

PubChemData

Smile

C=CC1(CCC1)C(C(=O)OCC2=CC=CC=C2)OCCC3=CC=CC=C3

DOS

IR

Vibrations