Geometry & MOs

Info

ID:	35832
PubChem CID:	7980382
Reduced:	BrNSO3H16C17 (1)
Stoich.:	ABCD3E16F17 (1)
Weight, g/mol:	389.139386
ΔH_f, kcal/mol:	-75.72
Dipole, Da:	4.25
IP(EA), eV:	-9.27(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetyl]amino]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)CNC(=O)CSC2=CC=C(C=C2)Br

DOS

IR

Vibrations