Geometry & MOs

Info

ID:	64654
PubChem CID:	29203806
Reduced:	SN2O4C22H24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	488.080885
ΔH_f, kcal/mol:	-77.29
Dipole, Da:	3.95
IP(EA), eV:	-8.9(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NN=C(O2)COC3=C(C=CC(=C3)C)C

DOS

IR

Vibrations