Geometry & MOs

Info

ID:	152902
PubChem CID:	56311991
Reduced:	FN2O2C19H23 (1)
Stoich.:	AB2C2D19E23 (1)
Weight, g/mol:	499.214092
ΔH_f, kcal/mol:	-94.63
Dipole, Da:	2.78
IP(EA), eV:	-8.92(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cyclopropylmethyl(1-phenylethyl)amino]-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)N(CC(=O)NCC1=CC=CC=C1OC)C2=CC=C(C=C2)F

DOS

IR

Vibrations