Geometry & MOs

Info

ID:

164587

PubChem CID:

74422176

Reduced:

NOC6H7 (4)

Stoich.:

ABC6D7 (4)

Weight, g/mol:

832.360298

ΔHf, kcal/mol:

-49.38

Dipole, Da:

8.45

IP(EA), eV:

 -9.12(-2.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C2N=NC(=O)N2C3=CC4=C(CC(C4)N(C)CCOC)C=C3)C(=O)C=C1O

DOS

IR

Vibrations