Geometry & MOs

Info

ID:	137006
PubChem CID:	52136644
Reduced:	ClOSN6C19H19 (1)
Stoich.:	ABCD6E19F19 (1)
Weight, g/mol:	430.097873
ΔH_f, kcal/mol:	92.58
Dipole, Da:	7.61
IP(EA), eV:	-8.53(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(4-chloro-1,5-dimethylpyrazol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(4-methoxyphenyl)-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CN=C(O2)CSC3=NN=C(N3C)C4=NN(C(=C4Cl)C)C

DOS

IR

Vibrations