Geometry & MOs

Info

ID:	428547
PubChem CID:	135167661
Reduced:	N2O2C19H26 (1)
Stoich.:	A2B2C19D26 (1)
Weight, g/mol:	508.250812
ΔH_f, kcal/mol:	-18.01
Dipole, Da:	2.8
IP(EA), eV:	-8.12(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(2S,4R)-4-hydroxy-2-[1-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propylamino]ethenyl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one

Drug info:

PubChemData

Smile

CN/C=C\C(=C/C=C)\C=C\C1=CC=C(C=C1)N(CCO)CCO

DOS

IR

Vibrations