Geometry & MOs

Info

ID:	325758
PubChem CID:	126684808
Reduced:	NO6C30H41 (1)
Stoich.:	AB6C30D41 (1)
Weight, g/mol:	511.293388
ΔH_f, kcal/mol:	-276.14
Dipole, Da:	4.11
IP(EA), eV:	-8.89(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCC1=CC=C(C=C1)CC(C)C(C)C(=O)C2=C(C=C(OC2=O)C(C)CC/C=C/NC(=O)OC)O

DOS

IR

Vibrations