Geometry & MOs

Info

ID:	157931
PubChem CID:	56459054
Reduced:	BrO3N5H14C17 (1)
Stoich.:	AB3C5D14E17 (1)
Weight, g/mol:	411.136511
ΔH_f, kcal/mol:	-22.57
Dipole, Da:	3.78
IP(EA), eV:	-8.9(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-[(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)amino]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C(=O)N)NC(=O)C2=CN=C(C=C2)OC3=CC(=CC=C3)Br

DOS

IR

Vibrations