Geometry & MOs

Info

ID:	325745
PubChem CID:	126684734
Reduced:	NPSC30H62 (1)
Stoich.:	ABCD30E62 (1)
Weight, g/mol:	471.225702
ΔH_f, kcal/mol:	-123.52
Dipole, Da:	2.24
IP(EA), eV:	-8.44(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(E)-5-[4-hydroxy-5-[(2S)-2-methyl-3-(4-propan-2-yloxyphenyl)propanoyl]-6-oxopyran-2-yl]hex-1-enyl]carbamate

Drug info:

PubChemData

Smile

CCCCC1CCC(S1)CC(C)C(C)C(C)C(CC(CC)C(C)CCCCNC(C)CC)P

DOS

IR

Vibrations