Geometry & MOs

Info

ID:

220694

PubChem CID:

85202961

Reduced:

N2O7C17H25 (2)

Stoich.:

A2B7C17D25 (2)

Weight, g/mol:

737.262516

ΔHf, kcal/mol:

-681.03

Dipole, Da:

4.81

IP(EA), eV:

 -9.98(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[2-[(2-amino-3-phenylpropanoyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(carboxymethyl)-2,5,13-trioxo-8,9-dithia-1,4,12-triazabicyclo[12.3.0]heptadecane-11-carboxylic acid

Drug info:

PubChemData

Smile

CC1(OC2C(OC(C2O1)N3CCC(=O)NC3=O)COC(=O)CCCCCCCCC(=O)OCC4C5C(C(O4)N6CCC(=O)NC6=O)OC(O5)(C)C)C

DOS

IR

Vibrations