Geometry & MOs

Info

ID:	304682
PubChem CID:	124766050
Reduced:	FN3O4C25H32 (1)
Stoich.:	AB3C4D25E32 (1)
Weight, g/mol:	477.90205
ΔH_f, kcal/mol:	-193.86
Dipole, Da:	0.7
IP(EA), eV:	-9.1(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R,2S,6R,7R,8S,9S)-8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCC(C)(C)N1[C@H]([C@@]23C=C[C@@H](O2)[C@@H]([C@H]3C1=O)C(=O)NC4=CC=CC=C4F)C(=O)NC(C)(C)C

DOS

IR

Vibrations