Geometry & MOs

Info

ID:	331482
PubChem CID:	127248889
Reduced:	SO2N5C22H27 (1)
Stoich.:	AB2C5D22E27 (1)
Weight, g/mol:	438.183795
ΔH_f, kcal/mol:	13.32
Dipole, Da:	2.04
IP(EA), eV:	-8.47(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(dimethylamino)-4-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]pyrimidin-5-yl]benzamide

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CN2CCOC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)OC)N(C)C

DOS

IR

Vibrations