Geometry & MOs

Info

ID:	364352
PubChem CID:	127315495
Reduced:	SN3O4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	351.107519
ΔH_f, kcal/mol:	-140.51
Dipole, Da:	2.35
IP(EA), eV:	-8.63(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-cyclopropyl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)CC2C(=O)NC3=CC=CC=C3O2)C(=O)N4CCSCC4

DOS

IR

Vibrations