Geometry & MOs

Info

ID:	441137
PubChem CID:	135233274
Reduced:	O3N6C22H28 (1)
Stoich.:	A3B6C22D28 (1)
Weight, g/mol:	527.324688
ΔH_f, kcal/mol:	41.04
Dipole, Da:	8.15
IP(EA), eV:	-8.35(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(E)-5-[5-[4-(4-hexylphenyl)-1-hydroxy-2,3-dimethylbutyl]-4-hydroxy-6-oxopyran-2-yl]hex-1-enyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)CNC1=C(N=C(C=C1)C2=CCC3C2CN(C3)C(=O)C4=NOC=C4)N(C)N=O

DOS

IR

Vibrations