Geometry & MOs

Info

ID:	266672
PubChem CID:	103578866
Reduced:	BrNSO2C8H10 (1)
Stoich.:	ABCD2E8F10 (1)
Weight, g/mol:	255.102607
ΔH_f, kcal/mol:	-67.99
Dipole, Da:	4.1
IP(EA), eV:	-9.88(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(3-chlorophenyl)ethyl]-2-propoxyacetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)S(=O)(=O)N

DOS

IR

Vibrations