Geometry & MOs

Info

ID:

378593

PubChem CID:

134224685

Reduced:

N3O3H29C45 (1)

Stoich.:

A3B3C29D45 (1)

Weight, g/mol:

347.129964

ΔHf, kcal/mol:

106.44

Dipole, Da:

2.55

IP(EA), eV:

 -8.02(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[2-[2-(1-chloro-2-hydroxyethyl)-6-fluorophenyl]-2-hydroxyethyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C2=NC(=NC3=C2OC4=C3C5=CC=CC=C5C=C4)N6C7=C(C=C(C=C7)OC)C8=C6C=C9C(=C8)OC1=C9C2=CC=CC=C2C=C1)C

DOS

IR

Vibrations