Geometry & MOs

Info

ID:	237738
PubChem CID:	92721171
Reduced:	FSO2N3H18C20 (1)
Stoich.:	ABC2D3E18F20 (1)
Weight, g/mol:	379.135448
ΔH_f, kcal/mol:	-17.77
Dipole, Da:	7.36
IP(EA), eV:	-8.65(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-3-methyl-4-[4-[(4-methylphenyl)methoxy]phenyl]-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one

Drug info:

PubChemData

Smile

CC1=C2[C@@H](SCC(=O)N=C2NN1)C3=CC=CC=C3OCC4=CC=CC=C4F

DOS

IR

Vibrations