Geometry & MOs

Info

ID:	273777
PubChem CID:	103799612
Reduced:	N2S2O3C13H16 (1)
Stoich.:	A2B2C3D13E16 (1)
Weight, g/mol:	334.99238
ΔH_f, kcal/mol:	-69.74
Dipole, Da:	3.19
IP(EA), eV:	-9.21(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)C1=CSC(=N1)C2=CSC=C2

DOS

IR

Vibrations