Geometry & MOs

Info

ID:	397951
PubChem CID:	135031124
Reduced:	NPSiO4C36H46 (1)
Stoich.:	ABCD4E36F46 (1)
Weight, g/mol:	401.119798
ΔH_f, kcal/mol:	-188.87
Dipole, Da:	11.21
IP(EA), eV:	-8.43(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(4-methylphenyl)triazol-4-yl]phenyl]-(4-methylsulfinylphenyl)methanone

Drug info:

PubChemData

Smile

C[C@H]([C@H]1C(=O)/C(=C(/C=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)\O)/C(=O)N1C)O[Si](C(C)C)(C(C)C)C(C)C

DOS

IR

Vibrations