Geometry & MOs

Info

ID:	332942
PubChem CID:	127251366
Reduced:	SO3N6C21H22 (1)
Stoich.:	AB3C6D21E22 (1)
Weight, g/mol:	437.152161
ΔH_f, kcal/mol:	-15.26
Dipole, Da:	2.93
IP(EA), eV:	-9.74(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-5-[2-methyl-6-[4-(4-methyl-1,3-thiazole-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=C(C=C4)C(=O)NC

DOS

IR

Vibrations