Geometry & MOs

Info

ID:	150480
PubChem CID:	53790170
Reduced:	O2N3C15H18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	387.997523
ΔH_f, kcal/mol:	-63.15
Dipole, Da:	4.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.017526
Charge, e:	0

Chem-info

IUPAC name:

N-[2,4-dichloro-5-[[4-(difluoromethyl)-3-oxo-1,2,4-triazolidin-1-yl]methyl]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=C2NC=C(C(=O)[N+]2=CC=C1)C(=O)NC3CCCC3

DOS

IR

Vibrations