Geometry & MOs

Info

ID:	168568
PubChem CID:	74989515
Reduced:	OCl2N3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	559.193096
ΔH_f, kcal/mol:	13.14
Dipole, Da:	7.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754312
Charge, e:	0

Chem-info

IUPAC name:

3-(1-hydroxyindol-3-yl)-2-[[2-[[hydroxy-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphosphoryl]amino]-4-methylpentanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1CC[NH+](C1)CC(C2=CC=CC=C2)N3CCCN(C3=O)C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations