Geometry & MOs

Info

ID:	356059
PubChem CID:	127291095
Reduced:	N3O3C18H31 (1)
Stoich.:	A3B3C18D31 (1)
Weight, g/mol:	387.128649
ΔH_f, kcal/mol:	-170.22
Dipole, Da:	3.44
IP(EA), eV:	-9.24(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dimethylthiophen-3-yl)sulfonyl-N-(oxan-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2CCN(CC2)C(=O)NC3CCCOC3

DOS

IR

Vibrations