Geometry & MOs

Info

ID:	137437
PubChem CID:	52208633
Reduced:	NF2O3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	336.104482
ΔH_f, kcal/mol:	-204.9
Dipole, Da:	4.21
IP(EA), eV:	-9.3(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-3-methyl-1-phenyl-4-pyridin-4-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one

Drug info:

PubChemData

Smile

CC(C)CCN(C1CC1)C(=O)C2=CC(=C(C=C2)OC(F)F)OC

DOS

IR

Vibrations