Geometry & MOs

Info

ID:	340045
PubChem CID:	127262054
Reduced:	ClO3N6C19H29 (1)
Stoich.:	AB3C6D19E29 (1)
Weight, g/mol:	441.148711
ΔH_f, kcal/mol:	-100.28
Dipole, Da:	4.6
IP(EA), eV:	-9.53(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-methyl-2-[(2,2,2-trifluoroacetyl)amino]-N-[4-(trifluoromethyl)phenyl]pentanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N)N([C@@H](CCCN=C(N)N)C(=O)CCl)C(=O)[C@H](CC1=CC=CC=C1)N

DOS

IR

Vibrations