Geometry & MOs

Info

ID:	165690
PubChem CID:	74584388
Reduced:	N2O2F3H17C19 (1)
Stoich.:	A2B2C3D17E19 (1)
Weight, g/mol:	373.146013
ΔH_f, kcal/mol:	-135.57
Dipole, Da:	7.95
IP(EA), eV:	-8.91(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-cyclopropyl-1-(3-methylphenyl)-4-oxo-2-sulfanylidene-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

C1C(C2C(NOC2NC1=C3C=CC(=O)C=C3)C4=CC=CC=C4)C(F)(F)F

DOS

IR

Vibrations