Geometry & MOs

Info

ID:

180741

PubChem CID:

76679221

Reduced:

N2O3C21H31 (2)

Stoich.:

A2B3C21D31 (2)

Weight, g/mol:

761.399978

ΔHf, kcal/mol:

-251.18

Dipole, Da:

3.05

IP(EA), eV:

 -9.17(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-benzyl-6-[2-[3-(dimethylcarbamoyl)-1-[6-methyl-4-oxo-2-propan-2-yl-5-(pyrazine-2-carbonylamino)heptanoyl]pyrrolidin-2-yl]-2-oxoethyl]-4,5-dioxononanoic acid

Drug info:

PubChemData

Smile

CCCC(CC(=O)C1C(CCN1C(=O)C(C(C)(C)C)NC(=O)C(CC(=O)C2=NC=CN=C2)C3CCCCC3)C4CCCCC4)C(=O)C(=O)CC5CC5

DOS

IR

Vibrations