Geometry & MOs

Info

ID:	192407
PubChem CID:	78266705
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	377.120941
ΔH_f, kcal/mol:	-26.03
Dipole, Da:	5.54
IP(EA), eV:	-8.77(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 5-(2-fluorophenyl)-7-methylidene-4-oxo-2-sulfanylidene-1,4a,5,6,8,8a-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC1C(C(NN1)C)CCCOC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations