Geometry & MOs

Info

ID:	30960
PubChem CID:	853981
Reduced:	NO4C16H19 (1)
Stoich.:	AB4C16D19 (1)
Weight, g/mol:	334.99795
ΔH_f, kcal/mol:	-152.58
Dipole, Da:	3.45
IP(EA), eV:	-8.15(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzylsulfanyl-N-(4-bromophenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)[C@H]2CC=CC[C@H]2C(=O)O

DOS

IR

Vibrations