Geometry & MOs

Info

ID:	219439
PubChem CID:	85148669
Reduced:	NO3C14H24 (2)
Stoich.:	AB3C14D24 (2)
Weight, g/mol:	512.176123
ΔH_f, kcal/mol:	-334.55
Dipole, Da:	4.95
IP(EA), eV:	-9.14(1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[2-[4-[1-pyridin-3-yl-5-(tetrazolidin-5-yl)pent-1-enyl]phenyl]ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1CCC(OC1C2C(CCC(O2)C3C(C(CCO3)NC(=O)C)C)C)C4C(C(CCO4)NC(=O)C)C

DOS

IR

Vibrations