Geometry & MOs

Info

ID:

215653

PubChem CID:

85085035

Reduced:

O13N16C51H84 (1)

Stoich.:

A13B16C51D84 (1)

Weight, g/mol:

1129.453882

ΔHf, kcal/mol:

-600.79

Dipole, Da:

8.17

IP(EA), eV:

 -9.28(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-[[1-[[6-amino-1-[[1-[[1-[[4-carboxy-1-[[1-[(1-carboxy-2-sulfanylethyl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCCCN(CC(=O)O)C(=O)C(C(C)CC)NC(=O)C(CCCN)NC(=O)CNC(=O)C(C(C)O)NC(=O)C(C(C)O)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(C)NC(=O)C(CCCN=C(N)N)N

DOS

IR

Vibrations