Geometry & MOs

Info

ID:	325738
PubChem CID:	126684714
Reduced:	SC12H18 (1)
Stoich.:	AB12C18 (1)
Weight, g/mol:	449.150823
ΔH_f, kcal/mol:	3.91
Dipole, Da:	0.97
IP(EA), eV:	-8.88(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)CCC1=CC=C(S1)C=C

DOS

IR

Vibrations