Geometry & MOs

Info

ID:	54358
PubChem CID:	17112486
Reduced:	NO4C29H29 (1)
Stoich.:	AB4C29D29 (1)
Weight, g/mol:	488.9994
ΔH_f, kcal/mol:	-77.28
Dipole, Da:	7.66
IP(EA), eV:	-8.72(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-methoxy-N-[(4-methoxy-2-nitrophenyl)carbamothioyl]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)OC(=O)C=C2CN3CCC(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O

DOS

IR

Vibrations