Geometry & MOs

Info

ID:

215110

PubChem CID:

85084167

Reduced:

SN3O5C15H18 (2)

Stoich.:

AB3C5D15E18 (2)

Weight, g/mol:

704.262833

ΔHf, kcal/mol:

-354.34

Dipole, Da:

12.0

IP(EA), eV:

 -8.37(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=S)NNC(=O)C(C(C(C(C(=O)NNC(=S)NC2=CC=C(C=C2)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations