Geometry & MOs

Info

ID:	158035
PubChem CID:	56459425
Reduced:	SN2O3C23H26 (1)
Stoich.:	AB2C3D23E26 (1)
Weight, g/mol:	436.122356
ΔH_f, kcal/mol:	-101.37
Dipole, Da:	6.31
IP(EA), eV:	-8.89(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]phenyl] N,N-dimethylcarbamothioate

Drug info:

PubChemData

Smile

CN(C)C(=O)SC1=CC=CC=C1NC(=O)CCC(=O)C2=CC3=C(CCCC3)C=C2

DOS

IR

Vibrations