Geometry & MOs

Info

ID:	367654
PubChem CID:	127325183
Reduced:	SO2N4C20H34 (1)
Stoich.:	AB2C4D20E34 (1)
Weight, g/mol:	349.182398
ΔH_f, kcal/mol:	-84.06
Dipole, Da:	4.62
IP(EA), eV:	-8.84(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-pyridin-3-ylbutanamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2=CSC(=N2)NC(=O)C(C(C)C)N3CCCCC3

DOS

IR

Vibrations