Geometry & MOs

Info

ID:	154610
PubChem CID:	56314081
Reduced:	BrN4O5H11C17 (1)
Stoich.:	AB4C5D11E17 (1)
Weight, g/mol:	482.00482
ΔH_f, kcal/mol:	-9.78
Dipole, Da:	4.93
IP(EA), eV:	-9.31(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-N-(5-bromopyridin-2-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-])C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations