Geometry & MOs

Info

ID:

168741

PubChem CID:

75012926

Reduced:

NSO2C21H21 (1)

Stoich.:

ABC2D21E21 (1)

Weight, g/mol:

621.236302

ΔHf, kcal/mol:

0.92

Dipole, Da:

5.64

IP(EA), eV:

 -9.05(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-[[2-[(2-acetamido-3-sulfanylpropanoyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[(1-amino-3-methyl-1-oxo-3-sulfanylbutan-2-yl)amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1CN(CCC12C=CC3=CC=CC=C23)S(=O)(=O)C=CC4=CC=CC=C4

DOS

IR

Vibrations