Geometry & MOs

Info

ID:	46854
PubChem CID:	10527910
Reduced:	BrSN2O4C19H27 (1)
Stoich.:	ABC2D4E19F27 (1)
Weight, g/mol:	459.190654
ΔH_f, kcal/mol:	-176.56
Dipole, Da:	3.43
IP(EA), eV:	-9.28(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-(2,4-diamino-5-ethylpyrido[2,3-d]pyrimidin-6-yl)-1-methoxy-1-oxopropan-2-yl]naphthalene-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)/N=C(\N(CC1=CC(=CC=C1)Br)C(=O)OC(C)(C)C)/SC

DOS

IR

Vibrations