Geometry & MOs

Info

ID:

215487

PubChem CID:

85084808

Reduced:

SO24C40H56 (1)

Stoich.:

AB24C40D56 (1)

Weight, g/mol:

953.425165

ΔHf, kcal/mol:

-1027.93

Dipole, Da:

8.15

IP(EA), eV:

 -8.51(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3,3-dimethylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]butanediamide

Drug info:

PubChemData

Smile

CC1COC2(CC1OC(=O)C3=CC=C(C=C3)O)C(=O)C4(C(CC5C(CS(=O)C5C4O2)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)C)O)O)O)O)O)O

DOS

IR

Vibrations