Geometry & MOs

Info

ID:	61193
PubChem CID:	26706919
Reduced:	FCl2O3N4H21C23 (1)
Stoich.:	AB2C3D4E21F23 (1)
Weight, g/mol:	383.184506
ΔH_f, kcal/mol:	-96.75
Dipole, Da:	10.6
IP(EA), eV:	-9.31(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[4-[[4-(diethylcarbamoyl)phenyl]carbamoyl]phenyl]carbamate

Drug info:

PubChemData

Smile

CCCN(CC(=O)NC1=C(C=CC(=C1)Cl)Cl)C(=O)C2=NN(C(=CC2=O)C)C3=CC=CC=C3F

DOS

IR

Vibrations