Geometry & MOs

Info

ID:	60919
PubChem CID:	26703107
Reduced:	ClFO2N3H15C18 (1)
Stoich.:	ABC2D3E15F18 (1)
Weight, g/mol:	352.103477
ΔH_f, kcal/mol:	-40.55
Dipole, Da:	1.36
IP(EA), eV:	-8.97(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)NC(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations