Geometry & MOs

Info

ID:	178020
PubChem CID:	76264716
Reduced:	N4O4C23H32 (1)
Stoich.:	A4B4C23D32 (1)
Weight, g/mol:	441.078814
ΔH_f, kcal/mol:	-133.87
Dipole, Da:	4.19
IP(EA), eV:	-9.38(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-1,3-dimethyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-7-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NC(=O)C1CCC(=O)NCC2=CC(=CC=C2)COC(C)C)N3CCOCC3

DOS

IR

Vibrations