Geometry & MOs

Info

ID:	307788
PubChem CID:	125309206
Reduced:	ClO3N4H15C20 (1)
Stoich.:	AB3C4D15E20 (1)
Weight, g/mol:	325.124883
ΔH_f, kcal/mol:	35.31
Dipole, Da:	0.74
IP(EA), eV:	-8.68(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)thiourea

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)[C@@H]2C(=C(O[C@H]3C2=C(N=N3)C4=CC=CC=C4Cl)N)C#N)O

DOS

IR

Vibrations