Geometry & MOs

Info

ID:

53675

PubChem CID:

14717718

Reduced:

SO8N9C33H47 (1)

Stoich.:

AB8C9D33E47 (1)

Weight, g/mol:

729.326831

ΔHf, kcal/mol:

-315.87

Dipole, Da:

14.47

IP(EA), eV:

 -8.63(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Drug info:

PubChemData

Smile

CSCCC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CCCN=C(N)N)N

DOS

IR

Vibrations