Geometry & MOs

Info

ID:	175481
PubChem CID:	75910073
Reduced:	ClN3O4C24H28 (1)
Stoich.:	AB3C4D24E28 (1)
Weight, g/mol:	402.195486
ΔH_f, kcal/mol:	-113.48
Dipole, Da:	3.48
IP(EA), eV:	-9.1(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[1-[1-(3-fluorophenoxy)propan-2-ylamino]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=CC(=O)NCC(C2=CC(=CC=C2)Cl)N3CCCC3)OCC(=O)N

DOS

IR

Vibrations