Geometry & MOs

Info

ID:	178574
PubChem CID:	76351256
Reduced:	N4O5C22H23 (1)
Stoich.:	A4B5C22D23 (1)
Weight, g/mol:	423.172896
ΔH_f, kcal/mol:	-118.13
Dipole, Da:	1.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.768999
Charge, e:	0

Chem-info

IUPAC name:

2-[[amino-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methylidene]amino]oxy-N-(3-methylsulfanylphenyl)acetamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CN1C2CCN(CC2)C(=O)CC[N+]3=NC(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations