Geometry & MOs

Info

ID:	208398
PubChem CID:	80526834
Reduced:	BrNSC11H16 (1)
Stoich.:	ABCD11E16 (1)
Weight, g/mol:	322.090662
ΔH_f, kcal/mol:	29.13
Dipole, Da:	1.91
IP(EA), eV:	-9.12(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]acetamide

Drug info:

PubChemData

Smile

CC(C)(CNCC(=C)Br)C1=CC=CS1

DOS

IR

Vibrations