Geometry & MOs

Info

ID:	376708
PubChem CID:	134222733
Reduced:	FPN6O7C25H34 (1)
Stoich.:	ABC6D7E25F34 (1)
Weight, g/mol:	554.202799
ΔH_f, kcal/mol:	-354.36
Dipole, Da:	4.76
IP(EA), eV:	-8.59(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diphenyl-4-[4-(N-phenylanilino)cyclohexa-1,5-dien-1-yl]sulfonylaniline

Drug info:

PubChemData

Smile

CC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@]([C@@H](C(O3)COP(=O)(N[C@H](C)C(=O)OC(C)C)OC4=CC=CC=C4)O)(C)F)NC

DOS

IR

Vibrations