Geometry & MOs

Info

ID:	229925
PubChem CID:	87569532
Reduced:	SO4N6C25H34 (1)
Stoich.:	AB4C6D25E34 (1)
Weight, g/mol:	449.943318
ΔH_f, kcal/mol:	-12.22
Dipole, Da:	9.1
IP(EA), eV:	-8.76(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[3-(5-chlorothiophen-2-yl)-4-methyl-1H-pyrazol-5-yl]-(2,4-dichlorophenyl)methyl] methanesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C(=O)[NH+](CC[C@@H](C)N2CCC(CC2)N(CC3=CSC=C3)C(=O)NOC)[O-])C)C#N

DOS

IR

Vibrations