Geometry & MOs

Info

ID:	333129
PubChem CID:	127251677
Reduced:	ON6C25H34 (1)
Stoich.:	AB6C25D34 (1)
Weight, g/mol:	437.188546
ΔH_f, kcal/mol:	17.19
Dipole, Da:	3.96
IP(EA), eV:	-8.44(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-(4-methylphenyl)-1-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)pyridin-2-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC2=CC(=NC(=C2)C)C3CN(CCO3)CC4=C(N(N=C4C)C(C)C)C

DOS

IR

Vibrations