Geometry & MOs

Info

ID:	155982
PubChem CID:	56368593
Reduced:	BrFON4C19H20 (1)
Stoich.:	ABCD4E19F20 (1)
Weight, g/mol:	406.170414
ΔH_f, kcal/mol:	-18.33
Dipole, Da:	3.46
IP(EA), eV:	-9.17(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S)-1-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NC(C)C2=C(N(N=C2)C3=CC=C(C=C3)F)C)Br

DOS

IR

Vibrations