Geometry & MOs

Info

ID:	441165
PubChem CID:	135233392
Reduced:	SN2O5C27H36 (1)
Stoich.:	AB2C5D27E36 (1)
Weight, g/mol:	364.199822
ΔH_f, kcal/mol:	-201.85
Dipole, Da:	6.94
IP(EA), eV:	-8.44(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC1=CC(=C(S1)/C=C(\C)/C(=O)C2=C(C=C(OC2=O)C(C)CC/C=C/NC(=O)OC)NC)C

DOS

IR

Vibrations