Geometry & MOs

Info

ID:	305901
PubChem CID:	124973778
Reduced:	SO2N3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	313.160183
ΔH_f, kcal/mol:	-42.92
Dipole, Da:	2.79
IP(EA), eV:	-9.2(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,4-difluorocyclohexyl)-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC(=O)NCC1=CN=C(C=C1)[C@H]2CCCN2C(=O)CC3=CC=CS3

DOS

IR

Vibrations