Geometry & MOs

Info

ID:	195885
PubChem CID:	78745780
Reduced:	SN3O5H15C17 (1)
Stoich.:	AB3C5D15E17 (1)
Weight, g/mol:	304.099397
ΔH_f, kcal/mol:	-61.45
Dipole, Da:	5.22
IP(EA), eV:	-9.15(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(NC(=S)N1)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations