Geometry & MOs

Info

ID:	442687
PubChem CID:	135255752
Reduced:	ClON6C25H29 (1)
Stoich.:	ABC6D25E29 (1)
Weight, g/mol:	471.03423
ΔH_f, kcal/mol:	30.74
Dipole, Da:	5.02
IP(EA), eV:	-8.6(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]furan-3-yl]-3-(1H-indol-3-yl)urea

Drug info:

PubChemData

Smile

C=CC(=O)N[C@H]1CCN(C1)[C@@H]2CCC[C@H](C2)NC3=NC=C(C(=N3)C4=CNC5=CC=CC=C54)Cl

DOS

IR

Vibrations