Geometry & MOs

Info

ID:	441139
PubChem CID:	135233279
Reduced:	ON3C11H16 (2)
Stoich.:	AB3C11D16 (2)
Weight, g/mol:	551.249472
ΔH_f, kcal/mol:	-45.88
Dipole, Da:	6.08
IP(EA), eV:	-8.61(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(E)-5-[5-[(3S)-2,3-dimethyl-4-[2-methyl-4-(3,3,3-trifluoropropyl)phenyl]butanoyl]-4-hydroxy-6-oxopyran-2-yl]hex-1-enyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)CN1C2=C(N=C(C=C2)C3CCCN(C3)C(=O)C(=NC)/C=C\N)N(C1=O)C

DOS

IR

Vibrations