Geometry & MOs

Info

ID:	328523
PubChem CID:	126724167
Reduced:	O2N3C23H37 (1)
Stoich.:	A2B3C23D37 (1)
Weight, g/mol:	397.152537
ΔH_f, kcal/mol:	-67.63
Dipole, Da:	3.24
IP(EA), eV:	-7.99(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-[[(4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]oxirane-2-carboxylic acid

Drug info:

PubChemData

Smile

CN1CCN(CC1C2CC3=CC(=C(C=C3CN2C)OC)OC)C4CCCCC4

DOS

IR

Vibrations