Geometry & MOs

Info

ID:

433593

PubChem CID:

135173733

Reduced:

ClO3N7H36C37 (1)

Stoich.:

AB3C7D36E37 (1)

Weight, g/mol:

421.201299

ΔHf, kcal/mol:

9.9

Dipole, Da:

7.11

IP(EA), eV:

 -8.06(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(dimethoxymethyl)-N-[2-fluoro-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)oxyamino]phenyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC2=NC=CC3=CC(=CN=C32)CN4CC(C4)C(=O)O)C5=C(C(=CC=C5)NC(=O)C6=NC=C(C=C6)CN7CCCC7)Cl

DOS

IR

Vibrations