Geometry & MOs

Info

ID:	147882
PubChem CID:	53787541
Reduced:	O5N8C32H46 (1)
Stoich.:	A5B8C32D46 (1)
Weight, g/mol:	441.188626
ΔH_f, kcal/mol:	-179.22
Dipole, Da:	10.99
IP(EA), eV:	-8.88(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-4,6,7,8-tetrahydrothieno[3,2-b]azepin-5-one

Drug info:

PubChemData

Smile

CCCCCCCC(CCCC)OC(=O)C(CCC(=O)O)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N

DOS

IR

Vibrations