Geometry & MOs

Info

ID:	166253
PubChem CID:	74656898
Reduced:	SN4O5C22H22 (1)
Stoich.:	AB4C5D22E22 (1)
Weight, g/mol:	450.19032
ΔH_f, kcal/mol:	-125.03
Dipole, Da:	8.05
IP(EA), eV:	-9.0(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3-methylbenzoyl)amino]phenyl] 1-ethyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

C1CC1N2C3C(CC(CN3)C(=O)OC4=CC=C(C=C4)NC(=O)C5=CC=CS5)C(=O)NC2=O

DOS

IR

Vibrations