Geometry & MOs

Info

ID:	433654
PubChem CID:	135173794
Reduced:	ON8C37H42 (1)
Stoich.:	AB8C37D42 (1)
Weight, g/mol:	452.151826
ΔH_f, kcal/mol:	69.23
Dipole, Da:	5.77
IP(EA), eV:	-8.08(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[[2-(dimethylamino)phenyl]carbamoylamino]anilino]sulfanyl-4-methoxybenzoic acid

Drug info:

PubChemData

Smile

CCN1CCC2=C(C1)N=C(N2C)C(=O)NC3=CC=CC(=C3C)C4=C(C(=CC=C4)NC5=NC=CC6=CC(=CN=C65)CN7CCCC7)C

DOS

IR

Vibrations