Geometry & MOs

Info

ID:	325755
PubChem CID:	126684787
Reduced:	NO7C28H39 (1)
Stoich.:	AB7C28D39 (1)
Weight, g/mol:	543.265459
ΔH_f, kcal/mol:	-326.7
Dipole, Da:	5.31
IP(EA), eV:	-8.43(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(E)-5-[5-[4-[5-(2-cyclohexylethyl)thiophen-2-yl]-2-methylbutanoyl]-4-hydroxy-6-oxopyran-2-yl]hex-1-enyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC(C)C)C(C)C(C)C(=O)C2=C(C=C(OC2=O)C(C)CCCCNC(=O)OC)O

DOS

IR

Vibrations