Geometry & MOs

Info

ID:	433670
PubChem CID:	135173810
Reduced:	SN5O5C32H35 (1)
Stoich.:	AB5C5D32E35 (1)
Weight, g/mol:	569.246061
ΔH_f, kcal/mol:	-111.41
Dipole, Da:	9.58
IP(EA), eV:	-8.17(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C2=CC(=CC=C2)C(=O)N(C)C)S(=O)(=O)NC3=CC=CC(=C3)NC(=O)NC4=CC(=CC=C4)N(C)C

DOS

IR

Vibrations