Geometry & MOs

Info

ID:	157624
PubChem CID:	56436162
Reduced:	OS2N4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	437.209676
ΔH_f, kcal/mol:	18.54
Dipole, Da:	6.82
IP(EA), eV:	-8.64(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-ditert-butylpyrazol-3-yl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)NC(=O)CC2=CSC(=N2)C3=CSC=C3)C(C)(C)C

DOS

IR

Vibrations