Geometry & MOs

Info

ID:	243157
PubChem CID:	99216132
Reduced:	NSO6C19H21 (1)
Stoich.:	ABC6D19E21 (1)
Weight, g/mol:	423.125277
ΔH_f, kcal/mol:	-224.9
Dipole, Da:	6.9
IP(EA), eV:	-8.5(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[(4R)-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]-4-methylbenzoate

Drug info:

PubChemData

Smile

CCOC(=O)COC1=CC=CC(=C1)C(=O)NC2=C(C(=C(S2)C)C)C(=O)OC

DOS

IR

Vibrations