Geometry & MOs

Info

ID:

327578

PubChem CID:

126690404

Reduced:

ON2S2C19H24 (1)

Stoich.:

AB2C2D19E24 (1)

Weight, g/mol:

786.11689

ΔHf, kcal/mol:

49.0

Dipole, Da:

1.88

IP(EA), eV:

 -8.41(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-bromo-2,7-dichloro-3,5-dimethoxycyclohepta-1,3,5-trien-1-yl)-5-[N-fluoro-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-2-propan-2-yloxyphenyl]-N'-methylcarbamimidoyl]-4-(methylideneamino)thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC(CC=CC1=CSC2=C1SCN=C2NC3CC3)C(/C=C\C=C)O

DOS

IR

Vibrations