Geometry & MOs

Info

ID:	233446
PubChem CID:	90944511
Reduced:	O2N4C31H34 (1)
Stoich.:	A2B4C31D34 (1)
Weight, g/mol:	553.110602
ΔH_f, kcal/mol:	22.44
Dipole, Da:	7.44
IP(EA), eV:	-7.93(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(4-cyanobut-1-ynyl)phenyl]-1-(2,4-dichlorophenyl)-4-ethyl-N-(1-oxo-1,4-thiazinan-4-yl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCN(CC)C1=CC=CC(=C1)C2=NNC3=C2C=CC(=C3)C4CC45C6=C(C=CC(=C6)OC)NC5=O

DOS

IR

Vibrations