Geometry & MOs

Info

ID:	243417
PubChem CID:	99222771
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	443.253255
ΔH_f, kcal/mol:	-120.66
Dipole, Da:	6.2
IP(EA), eV:	-8.87(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC(=CC=C2)OC)C)C(=O)N[C@H](C)C(=O)NC3CCCC3

DOS

IR

Vibrations