Geometry & MOs

Info

ID:	356345
PubChem CID:	127291418
Reduced:	SN3O3C17H31 (1)
Stoich.:	AB3C3D17E31 (1)
Weight, g/mol:	393.183461
ΔH_f, kcal/mol:	-156.35
Dipole, Da:	2.2
IP(EA), eV:	-8.88(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclobutanecarbonyl)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1(COCCN1CCNC(=O)C2CSCN2C(=O)C(C)(C)C)C

DOS

IR

Vibrations