Geometry & MOs

Info

ID:	396449
PubChem CID:	135028430
Reduced:	NO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	626.06571
ΔH_f, kcal/mol:	-78.52
Dipole, Da:	2.45
IP(EA), eV:	-8.59(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(2E)-2-[(4-bromophenyl)methylidene]cyclopropyl]methyl]-4-methyl-N-[[1-(4-methylphenyl)sulfonyltriazol-4-yl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2CCC(C2=O)(C)C(=O)C

DOS

IR

Vibrations