Geometry & MOs

Info

ID:	364341
PubChem CID:	127315481
Reduced:	O3N6C16H26 (1)
Stoich.:	A3B6C16D26 (1)
Weight, g/mol:	396.165369
ΔH_f, kcal/mol:	-67.87
Dipole, Da:	3.61
IP(EA), eV:	-9.65(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-tert-butylimidazol-2-yl)sulfanyl-1-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1CCCCC1OCC(=O)N2CCN(CC2)C(=O)CN3C=NN=N3

DOS

IR

Vibrations