Geometry & MOs

Info

ID:	231568
PubChem CID:	87574147
Reduced:	NCl2O3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	410.152495
ΔH_f, kcal/mol:	-74.09
Dipole, Da:	2.61
IP(EA), eV:	-9.1(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethylphenyl)-3-[[6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carbonyl]amino]thiourea

Drug info:

PubChemData

Smile

CO[C@@](C=O)(C1=CC=CC=C1)N2CCO[C@@H](C2)C3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations