Geometry & MOs

Info

ID:	138722
PubChem CID:	52415925
Reduced:	O3N4C20H32 (1)
Stoich.:	A3B4C20D32 (1)
Weight, g/mol:	309.185255
ΔH_f, kcal/mol:	-131.15
Dipole, Da:	8.75
IP(EA), eV:	-8.99(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-3-[2-(3-fluorophenyl)ethylcarbamoylamino]propanamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)CCNC(=O)NCC1=CC=CC=C1CN2CCOCC2

DOS

IR

Vibrations