Geometry & MOs

Info

ID:	179431
PubChem CID:	76482193
Reduced:	PF2N4O7C30H49 (1)
Stoich.:	AB2C4D7E30F49 (1)
Weight, g/mol:	404.219889
ΔH_f, kcal/mol:	-523.42
Dipole, Da:	2.95
IP(EA), eV:	-9.32(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-formyloxy-2-hydroxy-5-(5-phenylmethoxypentyl)-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCN(CCCCC)C(=O)C(C)NC(=O)C(C(C)C)NC(=O)C(CC1=CC=C(C=C1)C(F)(F)P(=O)(O)O)NC(=O)C

DOS

IR

Vibrations