Geometry & MOs

Info

ID:	155584
PubChem CID:	56366057
Reduced:	N2O2C11H12 (2)
Stoich.:	A2B2C11D12 (2)
Weight, g/mol:	459.02523
ΔH_f, kcal/mol:	-118.77
Dipole, Da:	4.59
IP(EA), eV:	-10.26(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-bromophenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide

Drug info:

PubChemData

Smile

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCCC(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations