Geometry & MOs

Info

ID:	30961
PubChem CID:	853993
Reduced:	BrNOSH14C15 (1)
Stoich.:	ABCDE14F15 (1)
Weight, g/mol:	285.118735
ΔH_f, kcal/mol:	2.29
Dipole, Da:	3.49
IP(EA), eV:	-9.01(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzylsulfanyl-N-(2,3-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CSCC(=O)NC2=CC=C(C=C2)Br

DOS

IR

Vibrations