Geometry & MOs

Info

ID:	178191
PubChem CID:	76292442
Reduced:	SN3O3C22H27 (1)
Stoich.:	AB3C3D22E27 (1)
Weight, g/mol:	465.10117
ΔH_f, kcal/mol:	-54.74
Dipole, Da:	4.08
IP(EA), eV:	-8.71(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-bromoanilino)-2-oxoethyl]-2,4-dioxo-1-propyl-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=CC(=C1)CN2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

DOS

IR

Vibrations