Geometry & MOs

Info

ID:	38358
PubChem CID:	8032440
Reduced:	SN3O4C21H23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	419.184506
ΔH_f, kcal/mol:	-90.96
Dipole, Da:	4.17
IP(EA), eV:	-9.08(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-(4-butoxy-3-methoxyphenyl)-2-phenyl-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)C(=O)C2=C(N3C(=CN=C3S2)C(=O)C4=CC(=CC=C4)OC)C

DOS

IR

Vibrations