Geometry & MOs

Info

ID:	395742
PubChem CID:	135026431
Reduced:	O2N4C29H30 (1)
Stoich.:	A2B4C29D30 (1)
Weight, g/mol:	508.141041
ΔH_f, kcal/mol:	82.58
Dipole, Da:	5.36
IP(EA), eV:	-8.16(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3Z)-3-[(4S)-4-[[(S)-tert-butylsulfinyl]amino]-5,5,5-trifluoropentan-2-ylidene]-5-chloro-2-oxoindole-1-carboxylate

Drug info:

PubChemData

Smile

C=CC1CN2CCC1CC2[C@@H](C3=CC=NC4=CC=CC=C34)NC5=C(C(=O)C5=O)NCC6C=CC=C6

DOS

IR

Vibrations