Geometry & MOs

Info

ID:	179977
PubChem CID:	76561353
Reduced:	SN5O5C24H33 (1)
Stoich.:	AB5C5D24E33 (1)
Weight, g/mol:	536.184189
ΔH_f, kcal/mol:	-175.33
Dipole, Da:	4.33
IP(EA), eV:	-8.94(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl N-[5-[4-(1-cyclopropylsulfonylcyclopropyl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]pyrimidin-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1COCCN1C2=NC(=NC(=C2)C3(CCCC3)S(=O)(=O)C)C4=CC=C(C=C4)NC(=O)NCCO

DOS

IR

Vibrations