Geometry & MOs

Info

ID:	218833
PubChem CID:	85090042
Reduced:	S2N3O7C22H33 (1)
Stoich.:	A2B3C7D22E33 (1)
Weight, g/mol:	515.154863
ΔH_f, kcal/mol:	-282.8
Dipole, Da:	9.89
IP(EA), eV:	-8.87(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(1-propan-2-ylsulfonylindole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C)C)S(=O)(=O)NC(=NCC2CC2(C(=O)O)NC(=O)OC(C)(C)C)SC

DOS

IR

Vibrations