Geometry & MOs

Info

ID:	189478
PubChem CID:	77863566
Reduced:	NO4C21H21 (1)
Stoich.:	AB4C21D21 (1)
Weight, g/mol:	433.178376
ΔH_f, kcal/mol:	-68.81
Dipole, Da:	4.65
IP(EA), eV:	-8.88(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(ethylsulfonylmethyl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]phenyl]-3-methylurea

Drug info:

PubChemData

Smile

CC1=NC(=C(CC=C(C=C1C=CC(=O)OC)C2=CC=CC=C2)O)C(=O)C

DOS

IR

Vibrations