Geometry & MOs

Info

ID:	77383
PubChem CID:	48427395
Reduced:	NOH10C11 (2)
Stoich.:	ABC10D11 (2)
Weight, g/mol:	350.166414
ΔH_f, kcal/mol:	45.26
Dipole, Da:	3.42
IP(EA), eV:	-9.1(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(butylsulfonylamino)-N-[(4-methylphenyl)methyl]-N-prop-2-ynylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(CC#C)C(=O)CC2=COC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations