Geometry & MOs

Info

ID:	352826
PubChem CID:	127283916
Reduced:	O2S2N4C17H26 (1)
Stoich.:	A2B2C4D17E26 (1)
Weight, g/mol:	375.118753
ΔH_f, kcal/mol:	-69.63
Dipole, Da:	1.26
IP(EA), eV:	-8.82(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CCC1=C(SC(=N1)NC(=O)CN2CCCC2C(=O)N3CCSCC3)C

DOS

IR

Vibrations