Geometry & MOs

Info

ID:	349871
PubChem CID:	127276477
Reduced:	SN2O4C20H20 (1)
Stoich.:	AB2C4D20E20 (1)
Weight, g/mol:	389.177313
ΔH_f, kcal/mol:	-104.1
Dipole, Da:	6.66
IP(EA), eV:	-8.8(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-morpholin-4-ylbenzoyl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CSCN2C(=O)C3=CC4=C(C=C3)OCO4)C

DOS

IR

Vibrations