Geometry & MOs

Info

ID:	314852
PubChem CID:	126623723
Reduced:	N2O5C32H40 (1)
Stoich.:	A2B5C32D40 (1)
Weight, g/mol:	373.06372
ΔH_f, kcal/mol:	-194.62
Dipole, Da:	6.34
IP(EA), eV:	-8.17(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R)-1-[(6-bromopyridin-2-yl)amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl] carbamate

Drug info:

PubChemData

Smile

CCNC1=CC=CC=C1.CCOC(=O)[C@@](C)(CCNC(=O)CCC(=O)O)CC1=CC=C(C=C1)C2=CC=CC=C2

DOS

IR

Vibrations