Geometry & MOs

Info

ID:

219576

PubChem CID:

85149287

Reduced:

O4N5C34H41 (1)

Stoich.:

A4B5C34D41 (1)

Weight, g/mol:

582.272336

ΔHf, kcal/mol:

-101.16

Dipole, Da:

3.89

IP(EA), eV:

 -8.65(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-hydroxy-2-[[2-[[2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]acetyl]amino]-3-[(4-methylphenyl)methylsulfanyl]propanoyl]amino]propanoate

Drug info:

PubChemData

Smile

CC(CC(=O)C(C1=CC=C(C=C1)N2C(CC(=O)N(C2=O)C)N)N)N3CCC(CC3)OC(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations