Geometry & MOs

Info

ID:	191534
PubChem CID:	78160114
Reduced:	BrNSO2C15H22 (1)
Stoich.:	ABCD2E15F22 (1)
Weight, g/mol:	494.092389
ΔH_f, kcal/mol:	-56.83
Dipole, Da:	0.71
IP(EA), eV:	-8.26(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-3-yl]pyrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)NC(CC=C)C1=C(C=CC(=C1)OC)Br

DOS

IR

Vibrations