Geometry & MOs

Info

ID:	360197
PubChem CID:	127300840
Reduced:	SO2N6C19H22 (1)
Stoich.:	AB2C6D19E22 (1)
Weight, g/mol:	399.172896
ΔH_f, kcal/mol:	20.96
Dipole, Da:	6.27
IP(EA), eV:	-8.94(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4N=N3

DOS

IR

Vibrations