Geometry & MOs

Info

ID:

1403

PubChem CID:

4337

Reduced:

N5O10C33H39 (1)

Stoich.:

A5B10C33D39 (1)

Weight, g/mol:

665.269692

ΔHf, kcal/mol:

-425.29

Dipole, Da:

6.5

IP(EA), eV:

 -8.95(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]propanoylamino]-4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C

DOS

IR

Vibrations