Geometry & MOs

Info

ID:	220532
PubChem CID:	85197669
Reduced:	SO2C20H20 (1)
Stoich.:	AB2C20D20 (1)
Weight, g/mol:	324.241293
ΔH_f, kcal/mol:	4.09
Dipole, Da:	6.89
IP(EA), eV:	-9.3(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-tert-butyl-5-(cyclopropylmethyl)-6-methoxy-4,5-dihydro-2H-pyrimidine-3-carboxylate

Drug info:

PubChemData

Smile

CCCCC#CC=C(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations