Geometry & MOs

Info

ID:	432741
PubChem CID:	135172878
Reduced:	SN7O12C48H77 (1)
Stoich.:	AB7C12D48E77 (1)
Weight, g/mol:	234.96254
ΔH_f, kcal/mol:	-559.8
Dipole, Da:	5.63
IP(EA), eV:	-9.19(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dichloro-N-methylsulfanylbenzamide

Drug info:

Smile

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2OC)C(=O)O)OC)OC)N(C)C(=O)CNC(=O)[C@H](C(C)C)N(C)C(=O)CCCCCN3C(=O)CC(C3=O)SCN

DOS

IR

Vibrations