Geometry & MOs

Info

ID:	65256
PubChem CID:	29204675
Reduced:	FCl3O3N4H18C21 (1)
Stoich.:	AB3C3D4E18F21 (1)
Weight, g/mol:	438.086161
ΔH_f, kcal/mol:	-91.46
Dipole, Da:	1.62
IP(EA), eV:	-9.12(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamoyl]phenyl]methylurea

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)Cl)C3=CC=C(C=C3)F

DOS

IR

Vibrations