Geometry & MOs

Info

ID:	195887
PubChem CID:	78745782
Reduced:	NO3C10H10 (2)
Stoich.:	AB3C10D10 (2)
Weight, g/mol:	350.104876
ΔH_f, kcal/mol:	-127.37
Dipole, Da:	3.92
IP(EA), eV:	-9.46(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-(dimethylamino)-3-nitrophenyl]-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=CC2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations