Geometry & MOs

Info

ID:	140070
PubChem CID:	52640524
Reduced:	BrClNSO3H11C17 (1)
Stoich.:	ABCDE3F11G17 (1)
Weight, g/mol:	299.199762
ΔH_f, kcal/mol:	-29.02
Dipole, Da:	2.59
IP(EA), eV:	-9.11(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-1-cyclopropylethyl]-3-(3-indol-1-ylpropyl)-1-methylurea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC=C2OS(=O)(=O)C3=C(N=CC(=C3)Br)Cl

DOS

IR

Vibrations