Geometry & MOs

Info

ID:	195883
PubChem CID:	78745778
Reduced:	N4O5C18H20 (1)
Stoich.:	A4B5C18D20 (1)
Weight, g/mol:	414.02489
ΔH_f, kcal/mol:	-69.78
Dipole, Da:	7.32
IP(EA), eV:	-8.88(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(3-bromo-4-ethoxy-5-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)NC(=O)C(C)OC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations