Geometry & MOs

Info

ID:	277706
PubChem CID:	103830478
Reduced:	BrSN2O2C14H15 (1)
Stoich.:	ABC2D2E14F15 (1)
Weight, g/mol:	320.01604
ΔH_f, kcal/mol:	-36.12
Dipole, Da:	2.88
IP(EA), eV:	-9.13(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-hydroxy-N-methyl-N-(pyridin-4-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CSC(=N1)NC(=O)C2=CC(=C(C=C2)Br)O

DOS

IR

Vibrations