Geometry & MOs

Info

ID:	277816
PubChem CID:	103831070
Reduced:	OSN2C13H22 (1)
Stoich.:	ABC2D13E22 (1)
Weight, g/mol:	278.179442
ΔH_f, kcal/mol:	-42.73
Dipole, Da:	2.77
IP(EA), eV:	-9.0(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)N(CC)CC1=CC=CS1)N

DOS

IR

Vibrations