Geometry & MOs

Info

ID:	401985
PubChem CID:	135053700
Reduced:	BN5C24H40 (1)
Stoich.:	AB5C24D40 (1)
Weight, g/mol:	376.074485
ΔH_f, kcal/mol:	7.47
Dipole, Da:	4.5
IP(EA), eV:	-8.24(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzhydrylsulfonyl-4-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

B1(N(CCN1N(C(C)C)C(C)C)N(C(C)C)C(C)C)/C(=C(\C#N)/C2=CC=CC=C2)/C

DOS

IR

Vibrations