Geometry & MOs

Info

ID:	154391
PubChem CID:	56313814
Reduced:	BrO3N4H17C22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	477.05489
ΔH_f, kcal/mol:	3.02
Dipole, Da:	3.17
IP(EA), eV:	-9.4(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC(=C1)C(=O)NC2=NC=C(C=C2)Br)OC3=CC=CC(=C3)C#N

DOS

IR

Vibrations