Geometry & MOs

Info

ID:	229633
PubChem CID:	87568252
Reduced:	NOC9H17 (2)
Stoich.:	ABC9D17 (2)
Weight, g/mol:	562.230157
ΔH_f, kcal/mol:	-134.77
Dipole, Da:	3.81
IP(EA), eV:	-9.03(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(Z)-[4-acetylsulfanyl-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]piperidin-3-ylidene]methyl]indole-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCC(=O)CC(=O)N(C)C1CCN(C1)C

DOS

IR

Vibrations