Geometry & MOs

Info

ID:	433297
PubChem CID:	135173434
Reduced:	SN5O5C30H31 (1)
Stoich.:	AB5C5D30E31 (1)
Weight, g/mol:	541.214761
ΔH_f, kcal/mol:	-116.35
Dipole, Da:	4.85
IP(EA), eV:	-8.28(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[3-[[3-(dimethylamino)phenyl]carbamoylamino]anilino]sulfanyl-4-hydroxyphenyl]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC(=C1)NC(=O)NC2=CC(=CC=C2)NS(=O)(=O)C3=C(C=CC(=C3)C4=CC(=CC=C4)C(=O)N(C)C)O

DOS

IR

Vibrations