Geometry & MOs

Info

ID:	67640
PubChem CID:	46506880
Reduced:	SN3O3H21C25 (1)
Stoich.:	AB3C3D21E25 (1)
Weight, g/mol:	464.080885
ΔH_f, kcal/mol:	11.7
Dipole, Da:	4.92
IP(EA), eV:	-8.75(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[(2-chlorophenyl)sulfonylmethyl]-4-(3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=C(O2)C)CN3N=C(C4=CC=CC=C4S3(=O)=O)C5=CC=CC=C5

DOS

IR

Vibrations