Geometry & MOs

Info

ID:	157257
PubChem CID:	56422461
Reduced:	SN4O4H20C23 (1)
Stoich.:	AB4C4D20E23 (1)
Weight, g/mol:	444.092597
ΔH_f, kcal/mol:	-61.2
Dipole, Da:	2.57
IP(EA), eV:	-9.61(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-morpholin-4-ylsulfonyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCC4=NC(=CS4)C5=CC=NC=C5

DOS

IR

Vibrations