Geometry & MOs

Info

ID:	157572
PubChem CID:	56435787
Reduced:	SN4O4C20H30 (1)
Stoich.:	AB4C4D20E30 (1)
Weight, g/mol:	327.231063
ΔH_f, kcal/mol:	-100.74
Dipole, Da:	4.53
IP(EA), eV:	-8.87(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-ditert-butylpyrazol-3-yl)-2,4-dimethylbenzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)OC)C(C)(C)C

DOS

IR

Vibrations