Geometry & MOs

Info

ID:	178027
PubChem CID:	76266506
Reduced:	SO3N5C23H35 (1)
Stoich.:	AB3C5D23E35 (1)
Weight, g/mol:	395.159354
ΔH_f, kcal/mol:	-115.06
Dipole, Da:	2.96
IP(EA), eV:	-8.39(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dioxo-N-[4-[(2-oxopyridin-1-yl)methyl]phenyl]-4a,5,6,7,8,8a-hexahydro-1H-pyrido[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1C(C(=O)NC(N1)N2CCOCC2)CCC(=O)NCC3=CC=C(C=C3)N4CCSCC4

DOS

IR

Vibrations