Geometry & MOs

Info

ID:	61231
PubChem CID:	26707237
Reduced:	ClFO3N4H22C23 (1)
Stoich.:	ABC3D4E22F23 (1)
Weight, g/mol:	417.145534
ΔH_f, kcal/mol:	-93.27
Dipole, Da:	7.47
IP(EA), eV:	-9.48(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[3-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylcarbamoyl]phenyl]carbamate

Drug info:

PubChemData

Smile

CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)C2=NN(C(=CC2=O)C)C3=CC=CC=C3F

DOS

IR

Vibrations