Geometry & MOs

Info

ID:	449952
PubChem CID:	135302775
Reduced:	O2N5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	423.31373
ΔH_f, kcal/mol:	-47.24
Dipole, Da:	0.64
IP(EA), eV:	-8.56(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,1S,6S)-1-cyclopentyl-1-hydroxy-6-[1-[(3Z)-3-(2-methyl-1H-pyrrol-3-yl)hexa-3,5-dienyl]cyclopropyl]non-3-en-5-one

Drug info:

PubChemData

Smile

C[C@@H]([C@H](C1CCCC1)O)NC(=O)[C@H]2CCN(CC23CC3)C4=NC=NC5=C4C=CN5

DOS

IR

Vibrations