Geometry & MOs

Info

ID:	436593
PubChem CID:	135205812
Reduced:	FN4O5C30H35 (1)
Stoich.:	AB4C5D30E35 (1)
Weight, g/mol:	345.05757
ΔH_f, kcal/mol:	-220.17
Dipole, Da:	7.19
IP(EA), eV:	-9.24(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(4-bromo-5-methoxy-2-oxopyridin-1-yl)butanoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC2=C(C=C1)[C@]3(CC2)C(=O)N(C(=O)O3)C(C(C)C4CC4)C(=O)NCC5=CC=C(C=C5)F)N

DOS

IR

Vibrations