Geometry & MOs

Info

ID:	47002
PubChem CID:	10528867
Reduced:	PO7C25H41 (1)
Stoich.:	AB7C25D41 (1)
Weight, g/mol:	484.293722
ΔH_f, kcal/mol:	-366.74
Dipole, Da:	1.43
IP(EA), eV:	-8.64(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2R)-3,3-dicyclohexyl-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOP(=O)(CC1=CC(=C(C(=C1)OCOC)C/C=C(\C)/CCC=C(C)C)OCOC)OCC

DOS

IR

Vibrations