Geometry & MOs

Info

ID:	243651
PubChem CID:	99233647
Reduced:	F3O3N5C24H32 (1)
Stoich.:	A3B3C5D24E32 (1)
Weight, g/mol:	386.231791
ΔH_f, kcal/mol:	-265.44
Dipole, Da:	5.81
IP(EA), eV:	-9.46(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3S)-1-[(2S)-2-(benzimidazol-1-yl)propanoyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)C1=C(C=NN1C2=NC=C(C=C2)C(F)(F)F)C(=O)N3CCC[C@@H](C3)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations