Geometry & MOs

Info

ID:

215489

PubChem CID:

85084810

Reduced:

N8O15C45H62 (1)

Stoich.:

A8B15C45D62 (1)

Weight, g/mol:

955.505506

ΔHf, kcal/mol:

-671.25

Dipole, Da:

9.49

IP(EA), eV:

 -9.68(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[[2-[[2-[2-[[3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoylamino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoylamino]-6-phenoxyhexanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C

DOS

IR

Vibrations