Geometry & MOs

Info

ID:	128098
PubChem CID:	51031154
Reduced:	O8C23H32 (1)
Stoich.:	A8B23C32 (1)
Weight, g/mol:	551.239576
ΔH_f, kcal/mol:	-349.34
Dipole, Da:	6.37
IP(EA), eV:	-9.44(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[[2-[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]phenyl]-phenylmethylidene]amino]-6,6,6-trifluorohexanoic acid

Drug info:

PubChemData

Smile

CC1(O[C@H]([C@H](O1)COC(=O)C(C)(C)C)C/C=C/C2=C(C(=CC(=C2)OC)OC)C(=O)O)C

DOS

IR

Vibrations