Geometry & MOs

Info

ID:	165702
PubChem CID:	74585170
Reduced:	SO3N5C17H25 (1)
Stoich.:	AB3C5D17E25 (1)
Weight, g/mol:	375.161663
ΔH_f, kcal/mol:	-96.87
Dipole, Da:	9.49
IP(EA), eV:	-9.03(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-butyl-4-oxo-7-phenyl-2-sulfanylidene-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCCCN1C2C(C(CC(N2)C3=NN(C=C3)CC)C(=O)O)C(=O)NC1=S

DOS

IR

Vibrations