Geometry & MOs

Info

ID:	29405
PubChem CID:	833555
Reduced:	ClNSO2H16C18 (1)
Stoich.:	ABCD2E16F18 (1)
Weight, g/mol:	343.178358
ΔH_f, kcal/mol:	-33.8
Dipole, Da:	3.36
IP(EA), eV:	-8.81(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(2R)-butan-2-yl]phenoxy]-N-(2,5-dimethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NCCC3=CC=CC=C3)Cl

DOS

IR

Vibrations