Geometry & MOs

Info

ID:	243159
PubChem CID:	99216144
Reduced:	SN2O4H22C23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	443.141596
ΔH_f, kcal/mol:	-57.22
Dipole, Da:	5.44
IP(EA), eV:	-9.04(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-3-(1H-indole-3-carbonyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)COC1=CC=CC(=C1)C(=O)N(CC=C)C2=NC(=CS2)C3=CC=CC=C3

DOS

IR

Vibrations