Geometry & MOs

Info

ID:	305403
PubChem CID:	124807136
Reduced:	SO2N4C18H24 (1)
Stoich.:	AB2C4D18E24 (1)
Weight, g/mol:	356.097683
ΔH_f, kcal/mol:	-6.37
Dipole, Da:	1.92
IP(EA), eV:	-9.05(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(7R)-5-ethylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]oxymethyl]-2-methyl-1,3-thiazole

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C(=O)NCC[C@H]2CCOC23CN(C3)CC4=CC=CS4

DOS

IR

Vibrations