Geometry & MOs

Info

ID:	332941
PubChem CID:	127251365
Reduced:	SO2N6C18H18 (1)
Stoich.:	AB2C6D18E18 (1)
Weight, g/mol:	438.14741
ΔH_f, kcal/mol:	41.34
Dipole, Da:	5.56
IP(EA), eV:	-9.81(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-5-[2-methyl-6-[4-(4-methylthiadiazole-5-carbonyl)morpholin-2-yl]pyridin-4-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)C3=C(N=NS3)C)C4=CN=CN=C4

DOS

IR

Vibrations