Geometry & MOs

Info

ID:	195881
PubChem CID:	78745776
Reduced:	NO4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	400.109293
ΔH_f, kcal/mol:	-174.26
Dipole, Da:	5.41
IP(EA), eV:	-9.14(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[5-(4-ethoxycarbonylphenyl)furan-2-yl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations