Geometry & MOs

Info

ID:	339937
PubChem CID:	127261946
Reduced:	O2F3N4C22H27 (1)
Stoich.:	A2B3C4D22E27 (1)
Weight, g/mol:	436.208611
ΔH_f, kcal/mol:	-212.14
Dipole, Da:	7.26
IP(EA), eV:	-9.06(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-amino-2-(4-methyl-N-[2-[4-(trifluoromethyl)anilino]acetyl]anilino)hexanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N([C@@H](CCCCN)C(=O)N)C(=O)CNC2=CC=CC(=C2)C(F)(F)F

DOS

IR

Vibrations