Geometry & MOs

Info

ID:	243139
PubChem CID:	99215938
Reduced:	N3O3C21H23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	476.134068
ΔH_f, kcal/mol:	-35.6
Dipole, Da:	4.56
IP(EA), eV:	-8.58(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC2=C1OC(=C2)[C@@H](C)NC(=O)C3=CN=C(C=C3)NC4CC4

DOS

IR

Vibrations