Geometry & MOs

Info

ID:	218088
PubChem CID:	85088847
Reduced:	FN3O5C22H22 (1)
Stoich.:	AB3C5D22E22 (1)
Weight, g/mol:	427.247107
ΔH_f, kcal/mol:	-195.42
Dipole, Da:	7.83
IP(EA), eV:	-9.47(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[3-hydroxy-4-[methylcarbamoyl(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1CN(C(=O)CC1C(C2=CC=C(C=C2)F)O)CCN3C(=O)C4C=C(C=CC4=NC3=O)O

DOS

IR

Vibrations