Geometry & MOs

Info

ID:	171927
PubChem CID:	75441966
Reduced:	SN3O5C18H27 (1)
Stoich.:	AB3C5D18E27 (1)
Weight, g/mol:	326.00145
ΔH_f, kcal/mol:	-211.66
Dipole, Da:	6.5
IP(EA), eV:	-8.83(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-4-amine

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=CC(=CC=C1)NC(=O)N(CCOC)C2CCS(=O)(=O)C2

DOS

IR

Vibrations