Geometry & MOs

Info

ID:

168558

PubChem CID:

74988551

Reduced:

BrClN2O3H14C18 (1)

Stoich.:

ABC2D3E14F18 (1)

Weight, g/mol:

950.469061

ΔHf, kcal/mol:

-72.54

Dipole, Da:

4.57

IP(EA), eV:

 -8.6(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[2-acetamido-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C3=C(C=CC(=C3)Br)Cl

DOS

IR

Vibrations