Geometry & MOs

Info

ID:	154913
PubChem CID:	56314462
Reduced:	BrSO2N3H16C20 (1)
Stoich.:	ABC2D3E16F20 (1)
Weight, g/mol:	450.04399
ΔH_f, kcal/mol:	16.9
Dipole, Da:	5.49
IP(EA), eV:	-9.13(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(benzotriazol-1-yl)acetyl]amino]-N-(5-bromopyridin-2-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)/C=C/C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations