Geometry & MOs

Info

ID:	138036
PubChem CID:	52301689
Reduced:	O2S2N3C19H19 (1)
Stoich.:	A2B2C3D19E19 (1)
Weight, g/mol:	348.221306
ΔH_f, kcal/mol:	-16.83
Dipole, Da:	2.57
IP(EA), eV:	-8.78(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-N-[3-[[(1S)-1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=CC=CC=C12)C(=O)N3CCC[C@@H](C3)C(=O)NC4=NC=CS4

DOS

IR

Vibrations