Geometry & MOs

Info

ID:	218505
PubChem CID:	85089544
Reduced:	N2F3O5C24H29 (1)
Stoich.:	A2B3C5D24E29 (1)
Weight, g/mol:	480.200885
ΔH_f, kcal/mol:	-329.41
Dipole, Da:	3.58
IP(EA), eV:	-9.25(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[6-[(4-methoxyphenyl)methylcarbamoyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydro-1H-pyrido[2,3-d]pyrimidin-3-yl]ethyl]benzoic acid

Drug info:

PubChemData

Smile

CC1C2CC(CCC2C(=O)ON1)NC(=O)C(CC(C)(C)C3=CC=CC4=C3OC=C4)(C(F)(F)F)O

DOS

IR

Vibrations