Geometry & MOs

Info

ID:	393152
PubChem CID:	135019589
Reduced:	N2O7C13H22 (2)
Stoich.:	A2B7C13D22 (2)
Weight, g/mol:	330.219495
ΔH_f, kcal/mol:	-612.33
Dipole, Da:	9.73
IP(EA), eV:	-9.23(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-3-hexyl-4-[(2R)-2-phenylmethoxypent-4-enyl]oxetan-2-one

Drug info:

PubChemData

Smile

CC(=O)NC1[C@@H](OC([C@H](C1O)O)CO)O[C@@H]2C(O[C@H](C(C2O)NC(=O)C)O[C@@H]3C(C4C(C3OC)N=C(O4)N(C)C)CO)CO

DOS

IR

Vibrations