Geometry & MOs

Info

ID:	145225
PubChem CID:	53482192
Reduced:	FN3O3H22C25 (1)
Stoich.:	AB3C3D22E25 (1)
Weight, g/mol:	556.235556
ΔH_f, kcal/mol:	-37.93
Dipole, Da:	3.06
IP(EA), eV:	-8.51(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-nitro-4-(oxan-4-ylamino)phenyl]sulfonyl-4-[(1R,5R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)/C=C/C2=CC=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)F

DOS

IR

Vibrations