Geometry & MOs

Info

ID:	331393
PubChem CID:	127248800
Reduced:	FSO2N5C22H24 (1)
Stoich.:	ABC2D5E22F24 (1)
Weight, g/mol:	422.206639
ΔH_f, kcal/mol:	-43.3
Dipole, Da:	4.49
IP(EA), eV:	-8.95(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(=O)N2CCOC(C2)C3=NC(=NC=C3C4=CC(=CC=C4)F)N(C)C

DOS

IR

Vibrations