Geometry & MOs

Info

ID:	419106
PubChem CID:	135107520
Reduced:	SN3O3C16H25 (1)
Stoich.:	AB3C3D16E25 (1)
Weight, g/mol:	385.157246
ΔH_f, kcal/mol:	-108.39
Dipole, Da:	2.69
IP(EA), eV:	-9.68(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]piperidin-1-yl]-thiophen-2-ylmethanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations