Geometry & MOs

Info

ID:

17079

PubChem CID:

483383

Reduced:

SN4O6C33H40 (1)

Stoich.:

AB4C6D33E40 (1)

Weight, g/mol:

620.266856

ΔHf, kcal/mol:

-92.17

Dipole, Da:

10.76

IP(EA), eV:

 -8.41(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-nitrophenyl)methyl N-[1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate

Drug info:

PubChemData

Smile

CN(CC(CCN1CCC(CC1)N(CC=C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations