Geometry & MOs

Info

ID:

185753

PubChem CID:

77344133

Reduced:

O2F3C29H29 (1)

Stoich.:

A2B3C29D29 (1)

Weight, g/mol:

631.188289

ΔHf, kcal/mol:

-161.29

Dipole, Da:

5.11

IP(EA), eV:

 -9.06(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-[[5-(diaminomethylideneamino)-2-[methyl-(2-sulfanylbenzoyl)amino]pentanoyl]amino]acetyl]amino]-4-oxo-4-[(2-sulfanylbenzoyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CCCC=COC1=C(C(=C(C=C1)C2=CC=C(C=C2)C3=CC(=C(C=C3)C4CCC(CO4)C)F)F)F

DOS

IR

Vibrations