Geometry & MOs

Info

ID:	178617
PubChem CID:	76357016
Reduced:	FO3N5C23H28 (1)
Stoich.:	AB3C5D23E28 (1)
Weight, g/mol:	422.17879
ΔH_f, kcal/mol:	-119.91
Dipole, Da:	3.15
IP(EA), eV:	-8.28(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluoro-4-morpholin-4-ylphenyl)-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide

Drug info:

PubChemData

Smile

CC1C(C(=O)NC(N1)C2=CC=NC=C2)CCC(=O)NC3=CC(=C(C=C3)N4CCOCC4)F

DOS

IR

Vibrations