Geometry & MOs

Info

ID:	150342
PubChem CID:	53790030
Reduced:	NSO2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	709.18805
ΔH_f, kcal/mol:	-41.85
Dipole, Da:	2.43
IP(EA), eV:	-8.45(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-[bis[(2-methylpropan-2-yl)oxy]phosphoryl-difluoromethyl]phenyl]-3-(4-bromophenyl)-2-phenylpropan-2-yl]benzotriazole

Drug info:

PubChemData

Smile

CC1=CC2=C(C=CC=C2N(C)S(=O)O)C=C1

DOS

IR

Vibrations