Geometry & MOs

Info

ID:	188295
PubChem CID:	77695402
Reduced:	SF3O3N4C26H29 (1)
Stoich.:	AB3C3D4E26F29 (1)
Weight, g/mol:	472.99062
ΔH_f, kcal/mol:	-188.07
Dipole, Da:	4.21
IP(EA), eV:	-8.77(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enedioic acid;1-(7-iodothieno[2,3-g]indazol-1-yl)propan-2-amine

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C=CC(=C2)OC(C(C)O)N3CCN(CC3)CC4=NOC(C4)C5=CC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations