Geometry & MOs

Info

ID:	332210
PubChem CID:	127250496
Reduced:	SO2N5C20H21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	419.19574
ΔH_f, kcal/mol:	-0.09
Dipole, Da:	3.42
IP(EA), eV:	-8.8(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[4-[3-(3-methylpyrazol-1-yl)propanoyl]morpholin-2-yl]pyridin-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(=O)N2CCOC(C2)C3=CC=CC(=N3)C4=CN=C(C=C4)N

DOS

IR

Vibrations