Geometry & MOs

Info

ID:

215468

PubChem CID:

85084780

Reduced:

SN4O10C51H72 (1)

Stoich.:

AB4C10D51E72 (1)

Weight, g/mol:

934.368361

ΔHf, kcal/mol:

-497.03

Dipole, Da:

8.85

IP(EA), eV:

 -8.52(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-[[2-[[3-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-2-methylbenzoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CSCC(C(=O)OCC2=CC=CC=C2)NC(=O)C(CCCCNC(=O)OC3C4CC5CC(C4)CC3C5)NC(=O)C(CCC(=O)OC6CCCCC6)NC(=O)OC(C)(C)C

DOS

IR

Vibrations