Geometry & MOs

Info

ID:	150024
PubChem CID:	53789709
Reduced:	S3O7N9C25H35 (1)
Stoich.:	A3B7C9D25E35 (1)
Weight, g/mol:	383.912611
ΔH_f, kcal/mol:	-167.58
Dipole, Da:	10.4
IP(EA), eV:	-9.24(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[dichloro-[dichloro(phenyl)methyl]sulfonylmethyl]benzene

Drug info:

PubChemData

Smile

CC(C)COC(=O)OC(C)OC(=O)C1=C(CS[C@@H]2N1C(=O)[C@H]2NC(=O)CC3=CSC(=N3)N)CSC4=NN=NN4CCN(C)C

DOS

IR

Vibrations