Geometry & MOs

Info

ID:	237736
PubChem CID:	92721156
Reduced:	SO2N3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	319.099063
ΔH_f, kcal/mol:	-11.23
Dipole, Da:	7.29
IP(EA), eV:	-8.77(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-(2,4-dimethoxyphenyl)-3-methyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1[C@@H]2C3=C(NNC3=NC(=O)CS2)C

DOS

IR

Vibrations