Geometry & MOs

Info

ID:	339936
PubChem CID:	127261945
Reduced:	O2N5C25H33 (1)
Stoich.:	A2B5C25D33 (1)
Weight, g/mol:	436.208611
ΔH_f, kcal/mol:	-40.07
Dipole, Da:	4.95
IP(EA), eV:	-8.04(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-amino-2-(4-methyl-N-[2-[3-(trifluoromethyl)anilino]acetyl]anilino)hexanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N([C@@H](CCCCN)C(=O)N)C(=O)CNCCC2=CNC3=CC=CC=C32

DOS

IR

Vibrations