Geometry & MOs

Info

ID:	144384
PubChem CID:	53359394
Reduced:	S2N7O7C21H31 (1)
Stoich.:	A2B7C7D21E31 (1)
Weight, g/mol:	526.203862
ΔH_f, kcal/mol:	-196.85
Dipole, Da:	6.88
IP(EA), eV:	-9.18(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-benzhydryl-N-[(E)-3-[1-(dimethylsulfamoyl)imidazol-4-yl]prop-2-enyl]-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C/C=C/C1=CN(C=N1)S(=O)(=O)N(C)C)C(=O)/C=C/C2=CN(C=N2)S(=O)(=O)N(C)C

DOS

IR

Vibrations