Geometry & MOs

Info

ID:	165279
PubChem CID:	74525812
Reduced:	NSO3C18H19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	412.17467
ΔH_f, kcal/mol:	-64.93
Dipole, Da:	8.14
IP(EA), eV:	-8.27(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(5-methyl-2,4-dioxo-3-phenyl-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carbonyl)piperidine-4-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C=CC(=O)NC2=CC=C(C=C2)SC)OC

DOS

IR

Vibrations