Geometry & MOs

Info

ID:

188866

PubChem CID:

77776579

Reduced:

N4O5C25H26 (1)

Stoich.:

A4B5C25D26 (1)

Weight, g/mol:

607.21007

ΔHf, kcal/mol:

-141.81

Dipole, Da:

2.6

IP(EA), eV:

 -9.12(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-3-[[2-[[2-[4-[(5-methylpyridin-2-yl)carbamoylamino]phenyl]acetyl]amino]-4-methylsulfanylbutanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)NC(CC1=C(C=C(C=C1)C2=CC=CC=C2)NC(=O)NCC3=CC=NC=C3)C(=O)O

DOS

IR

Vibrations