Geometry & MOs

Info

ID:

190871

PubChem CID:

78070702

Reduced:

S3C10H12 (1)

Stoich.:

A3B10C12 (1)

Weight, g/mol:

798.471186

ΔHf, kcal/mol:

44.56

Dipole, Da:

0.76

IP(EA), eV:

 -8.67(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[5-amino-2-[[5-amino-2-[[2-[[2-[[2-(2-aminopropanoylamino)-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCSC(=S)SC1=CC=C(C=C1)C

DOS

IR

Vibrations