Geometry & MOs

Info

ID:

215101

PubChem CID:

85084157

Reduced:

PN6O8C35H39 (1)

Stoich.:

AB6C8D35E39 (1)

Weight, g/mol:

702.308538

ΔHf, kcal/mol:

-257.16

Dipole, Da:

8.42

IP(EA), eV:

 -8.85(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[[2-[[4-amino-2-[[2-[[2-(2-aminopropanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]propanoylamino]propanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)NC(CC1=CC=C(C=C1)N=C(N)N)P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)NC(=O)C(CO)NC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations