Geometry & MOs

Info

ID:	153346
PubChem CID:	56312531
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	472.05686
ΔH_f, kcal/mol:	-21.85
Dipole, Da:	4.05
IP(EA), eV:	-8.96(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1CCN(CC1)C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3

DOS

IR

Vibrations