Geometry & MOs

Info

ID:	441655
PubChem CID:	135238834
Reduced:	Cl3N3O3C14H14 (1)
Stoich.:	A3B3C3D14E14 (1)
Weight, g/mol:	404.11638
ΔH_f, kcal/mol:	-64.97
Dipole, Da:	4.28
IP(EA), eV:	-9.36(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-2-(4-chlorophenyl)-1-[2-(2-hydroxyethyl)tetrazol-5-yl]ethyl]-3-(4-fluorophenyl)urea

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CC(C2=NOC(=N2)C(Cl)(Cl)Cl)NC(=O)O

DOS

IR

Vibrations