Geometry & MOs

Info

ID:	243161
PubChem CID:	99216208
Reduced:	O2N3C23H25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	401.100954
ΔH_f, kcal/mol:	-41.08
Dipole, Da:	3.44
IP(EA), eV:	-8.72(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-N-[(3,5-difluorophenyl)methyl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CNC(=O)N1C2=CC=C(C=C2)C(=O)NC3CCC(CC3)C4=CC=CC=C4

DOS

IR

Vibrations