Geometry & MOs

Info

ID:	79985
PubChem CID:	49831987
Reduced:	O5C33H42 (1)
Stoich.:	A5B33C42 (1)
Weight, g/mol:	376.199822
ΔH_f, kcal/mol:	-195.23
Dipole, Da:	2.47
IP(EA), eV:	-9.09(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-[[(E)-5-oxo-5-phenylpent-3-enyl]amino]propyl]butanamide

Drug info:

PubChemData

Smile

CC(=CC[C@]12C[C@H](C([C@](C1=O)(C(=O)/C(=C(/C3=CC=CC=C3)\O)/C2=O)CC=C(C)C)(C)C)C(C=C(C)C)O)C

DOS

IR

Vibrations