Geometry & MOs

Info

ID:

215633

PubChem CID:

85085009

Reduced:

N11O14C54H79 (1)

Stoich.:

A11B14C54D79 (1)

Weight, g/mol:

1106.446629

ΔHf, kcal/mol:

-647.64

Dipole, Da:

13.92

IP(EA), eV:

 -9.0(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[2-[[1-[2-[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CN=CN2)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)N

DOS

IR

Vibrations