Geometry & MOs

Info

ID:	351246
PubChem CID:	127279804
Reduced:	SO3N4C17H24 (1)
Stoich.:	AB3C4D17E24 (1)
Weight, g/mol:	378.169191
ΔH_f, kcal/mol:	-95.06
Dipole, Da:	1.1
IP(EA), eV:	-9.0(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CC2CCCN(C2)C(=O)C3CSC4(N3C(=O)CC4)C

DOS

IR

Vibrations