Geometry & MOs

Info

ID:

224142

PubChem CID:

85338655

Reduced:

N8O11C31H54 (1)

Stoich.:

A8B11C31D54 (1)

Weight, g/mol:

721.245135

ΔHf, kcal/mol:

-552.85

Dipole, Da:

11.24

IP(EA), eV:

 -9.78(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-amino-4-[[1-[[1-[[1-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(C)C(=O)O)NC(=O)C(C)N

DOS

IR

Vibrations