Geometry & MOs

Info

ID:	433643
PubChem CID:	135173783
Reduced:	SN6O7C31H40 (1)
Stoich.:	AB6C7D31E40 (1)
Weight, g/mol:	452.151826
ΔH_f, kcal/mol:	-249.59
Dipole, Da:	14.07
IP(EA), eV:	-8.31(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[[3-(dimethylamino)phenyl]carbamoylamino]anilino]sulfanyl-4-methoxybenzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCNC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC=CC(=C2)NC(=O)NC3=CC=CC=C3N(C)C

DOS

IR

Vibrations