Geometry & MOs

Info

ID:	441180
PubChem CID:	135233476
Reduced:	N6H12C13 (1)
Stoich.:	A6B12C13 (1)
Weight, g/mol:	475.202859
ΔH_f, kcal/mol:	134.02
Dipole, Da:	2.83
IP(EA), eV:	-9.55(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(E)-5-[4-hydroxy-5-[(2S)-2-methyl-3-[5-(3-methylbutyl)thiophen-2-yl]propanoyl]-6-oxopyran-2-yl]pent-1-enyl]carbamate

Drug info:

PubChemData

Smile

CC(C)N1C=NC=C1C2=NN3C(=NC=C3C#N)C=C2

DOS

IR

Vibrations