Geometry & MOs

Info

ID:	349876
PubChem CID:	127276482
Reduced:	SN3O3C19H25 (1)
Stoich.:	AB3C3D19E25 (1)
Weight, g/mol:	395.166748
ΔH_f, kcal/mol:	-124.82
Dipole, Da:	6.45
IP(EA), eV:	-8.64(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-cyclopropylquinoline-4-carbonyl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=O)CCC2)C(=O)N3CCCC3C(=O)N4CCSCC4

DOS

IR

Vibrations