Geometry & MOs

Info

ID:	46637
PubChem CID:	10525845
Reduced:	N4O5C21H26 (1)
Stoich.:	A4B5C21D26 (1)
Weight, g/mol:	414.201794
ΔH_f, kcal/mol:	-202.48
Dipole, Da:	5.99
IP(EA), eV:	-8.78(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E,2S,7S)-7-hydroxy-2,6-dimethyl-4-methylidenenon-5-enyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

Drug info:

PubChemData

Smile

C[C@@]1(C(=O)N[C@@H](CCCCNC(=O)CC(=O)N1)C(=O)O)CC2=CNC3=CC=CC=C32

DOS

IR

Vibrations