Geometry & MOs

Info

ID:	140969
PubChem CID:	52792001
Reduced:	BrO2N4C15H17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	421.14199
ΔH_f, kcal/mol:	11.7
Dipole, Da:	5.85
IP(EA), eV:	-8.84(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-1-(1-methylpyrazol-4-yl)ethylideneamino]oxy-N-(3-morpholin-4-ylsulfonylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CO/N=C(\C)/C2=CN(N=C2)C)Br

DOS

IR

Vibrations