Geometry & MOs

Info

ID:	387100
PubChem CID:	134983987
Reduced:	PSN2O3C14H15 (1)
Stoich.:	ABC2D3E14F15 (1)
Weight, g/mol:	469.0307
ΔH_f, kcal/mol:	-53.77
Dipole, Da:	6.67
IP(EA), eV:	-8.99(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,4R,5R,6S)-12-bromo-4-hydroxy-7-methoxy-8-oxo-1,7-diazatricyclo[7.3.0.02,6]dodeca-9,11-dien-5-yl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CP(=O)(C)NC1=CC=C(C=C1)SC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations