Geometry & MOs

Info

ID:	71557
PubChem CID:	48415035
Reduced:	BrO2N3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	417.208613
ΔH_f, kcal/mol:	-12.11
Dipole, Da:	0.98
IP(EA), eV:	-9.0(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-but-3-ynylpiperazine-1-carbonyl)-N-cyclohexyl-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCNC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations