Geometry & MOs

Info

ID:	237734
PubChem CID:	92721148
Reduced:	OSF2N3H11C13 (1)
Stoich.:	ABC2D3E11F13 (1)
Weight, g/mol:	303.104148
ΔH_f, kcal/mol:	-53.72
Dipole, Da:	7.55
IP(EA), eV:	-9.1(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-(2-ethoxyphenyl)-3-methyl-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=C(C(=CC=C3)F)F

DOS

IR

Vibrations