Geometry & MOs

Info

ID:

441181

PubChem CID:

135233477

Reduced:

NSO6C25H33 (1)

Stoich.:

ABC6D25E33 (1)

Weight, g/mol:

473.241352

ΔHf, kcal/mol:

-256.88

Dipole, Da:

3.12

IP(EA), eV:

 -8.93(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(E)-5-[4-hydroxy-5-[(2S)-2-methyl-3-[4-(propoxymethyl)cyclopenta-1,3-dien-1-yl]propanoyl]-6-oxopyran-2-yl]hex-1-enyl]carbamate

Drug info:

PubChemData

Smile

C[C@@H](CC1=CC=C(S1)CCC(C)C)C(=O)C2=C(C=C(OC2=O)CCC/C=C/NC(=O)OC)O

DOS

IR

Vibrations