Geometry & MOs

Info

ID:	156307
PubChem CID:	56370040
Reduced:	BrClFON3H16C17 (1)
Stoich.:	ABCDE3F16G17 (1)
Weight, g/mol:	468.121877
ΔH_f, kcal/mol:	-34.36
Dipole, Da:	4.05
IP(EA), eV:	-8.33(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S)-1-[[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1CN(CC1CNC(=O)C2=C(N=CC(=C2)Br)Cl)C3=CC=C(C=C3)F

DOS

IR

Vibrations