Geometry & MOs

Info

ID:	191487
PubChem CID:	78153928
Reduced:	SN4O4C15H18 (1)
Stoich.:	AB4C4D15E18 (1)
Weight, g/mol:	391.039355
ΔH_f, kcal/mol:	-83.98
Dipole, Da:	6.17
IP(EA), eV:	-9.49(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-[5-(7-oxo-2,3,3a,4-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)furan-2-yl]benzoic acid

Drug info:

PubChemData

Smile

C1C(NNC1C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CO3

DOS

IR

Vibrations