Geometry & MOs

Info

ID:	43109
PubChem CID:	10318597
Reduced:	SO3N4C19H32 (1)
Stoich.:	AB3C4D19E32 (1)
Weight, g/mol:	397.152537
ΔH_f, kcal/mol:	-125.39
Dipole, Da:	3.15
IP(EA), eV:	-8.24(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,4R,5R)-2-nitro-4,5-bis(phenylmethoxy)cyclopent-2-en-1-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)NCCCCN1CCN(CC1)C2=CC=CC(=C2)NC(=O)C

DOS

IR

Vibrations