Geometry & MOs

Info

ID:	234501
PubChem CID:	92298562
Reduced:	NOCl2H13C15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	472.160283
ΔH_f, kcal/mol:	-31.99
Dipole, Da:	5.54
IP(EA), eV:	-9.31(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-butyl-5-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(=O)NC2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations