Geometry & MOs

Info

ID:

17080

PubChem CID:

483384

Reduced:

SN4O6C33H42 (1)

Stoich.:

AB4C6D33E42 (1)

Weight, g/mol:

622.282506

ΔHf, kcal/mol:

-42.52

Dipole, Da:

4.93

IP(EA), eV:

 -8.41(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-nitrophenyl)methyl N-[1-[(3S)-4-[benzenesulfonyl(methyl)amino]-3-methyl-3-phenylbutyl]piperidin-4-yl]-N-ethylcarbamate

Drug info:

PubChemData

Smile

CCN(C1CCN(CC1)CC[C@](C)(CN(C)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations