Geometry & MOs

Info

ID:	327628
PubChem CID:	126690557
Reduced:	NOC12H14 (2)
Stoich.:	ABC12D14 (2)
Weight, g/mol:	577.055
ΔH_f, kcal/mol:	-45.98
Dipole, Da:	2.85
IP(EA), eV:	-8.51(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z,6Z)-8-bromo-6-chloro-5-[1-[5-[(1H-indazol-6-ylamino)methyl]-4-(methylamino)thiophen-3-yl]ethenylamino]-7-methoxyocta-4,6-dien-1-yne-3,4-diol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC=CC(C1)N2C3=CC=CC=C3CCC4=CC=CC=C42

DOS

IR

Vibrations