Geometry & MOs

Info

ID:	132507
PubChem CID:	51372823
Reduced:	NO2H11C15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	274.088832
ΔH_f, kcal/mol:	-4.29
Dipole, Da:	2.9
IP(EA), eV:	-9.52(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-1,3-dimethyl-4-pyridin-3-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=NC3=CC=CC=C3OC2=O

DOS

IR

Vibrations