Geometry & MOs

Info

ID:	433257
PubChem CID:	135173394
Reduced:	O4N7H25C26 (1)
Stoich.:	A4B7C25D26 (1)
Weight, g/mol:	560.155198
ΔH_f, kcal/mol:	-24.2
Dipole, Da:	3.66
IP(EA), eV:	-8.91(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-methoxy-3-[[3-(phenylcarbamothioylamino)phenyl]sulfamoyl]phenyl]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=C(C=N2)C3=NC4=C(C=C3)N=C5N4[C@]6(COC5)COC7=CC=CC=C67)C(=O)CO

DOS

IR

Vibrations