Geometry & MOs

Info

ID:

215472

PubChem CID:

85084789

Reduced:

SN10O10C45H64 (1)

Stoich.:

AB10C10D45E64 (1)

Weight, g/mol:

936.452759

ΔHf, kcal/mol:

-424.7

Dipole, Da:

9.59

IP(EA), eV:

 -8.93(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-3-[[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]-4-methylpentanoyl]-(2-methylpropyl)amino]acetyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCCCN(CC(=O)NC(CC(=O)O)C(=O)N)C(=O)C(CC(C)C)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCSC)NC(=O)C(CC3=CC=C(C=C3)O)N

DOS

IR

Vibrations