Geometry & MOs

Info

ID:	346784
PubChem CID:	127271288
Reduced:	SO3N5C16H25 (1)
Stoich.:	AB3C5D16E25 (1)
Weight, g/mol:	382.167477
ΔH_f, kcal/mol:	-96.13
Dipole, Da:	5.84
IP(EA), eV:	-9.63(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(oxolan-2-yl)propan-2-yl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(CC1CCCO1)NC(=O)N2CCC(CC2)C(=O)NC3=NN=CS3

DOS

IR

Vibrations