Geometry & MOs

Info

ID:	29917
PubChem CID:	838203
Reduced:	ClNO4C18H18 (1)
Stoich.:	ABC4D18E18 (1)
Weight, g/mol:	342.103814
ΔH_f, kcal/mol:	-137.04
Dipole, Da:	3.08
IP(EA), eV:	-9.25(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4R)-4-(4-methoxynaphthalen-1-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl

DOS

IR

Vibrations