Geometry & MOs

Info

ID:	146911
PubChem CID:	53770511
Reduced:	N3O7C26H29 (1)
Stoich.:	A3B7C26D29 (1)
Weight, g/mol:	422.104876
ΔH_f, kcal/mol:	-249.72
Dipole, Da:	2.01
IP(EA), eV:	-9.44(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-methoxy-5-(pyridin-3-ylcarbamoyl)phenyl]carbamothioylamino]benzoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(CCN1CCC2=CC=CC=C2C1=O)N[C@H]3COC4=CC=CC=C4N(C3=O)CC(=O)O

DOS

IR

Vibrations