Geometry & MOs

Info

ID:	307594
PubChem CID:	125307655
Reduced:	NSO2H6C10 (2)
Stoich.:	ABC2D6E10 (2)
Weight, g/mol:	454.085098
ΔH_f, kcal/mol:	-10.92
Dipole, Da:	3.36
IP(EA), eV:	-9.02(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3,4-dichlorophenyl)methoxy]-2-[(3S)-4-(2-methoxyphenyl)-3-methyl-3H-pyrazol-5-yl]phenol

Drug info:

PubChemData

Smile

C1OC2=CC3=C[C@H](C(=O)N=C3C=C2O1)/C=C\4/C(=O)N(C(=S)S4)C5=CC=CC=C5

DOS

IR

Vibrations