Geometry & MOs

Info

ID:	308001
PubChem CID:	125311190
Reduced:	N3O4H19C20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	427.149183
ΔH_f, kcal/mol:	-36.83
Dipole, Da:	4.15
IP(EA), eV:	-9.14(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-oxolan-2-yl]methyl (4aS,5S)-2-amino-7-methyl-5-(3-nitrophenyl)-4-oxo-5,8-dihydro-4aH-pyrido[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C[C@@H](C2=O)[C@H]3N=C(NO3)C4=CC(=CC(=C4)OC)OC

DOS

IR

Vibrations