Geometry & MOs

Info

ID:	46700
PubChem CID:	10526410
Reduced:	NSO5C23H23 (1)
Stoich.:	ABC5D23E23 (1)
Weight, g/mol:	425.152161
ΔH_f, kcal/mol:	-137.8
Dipole, Da:	10.03
IP(EA), eV:	-9.44(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-2-methyl-N-[3-[3-oxo-3-(1,3-thiazol-2-ylamino)propanoyl]phenyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)[C@H](CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations