Geometry & MOs

Info

ID:	125913
PubChem CID:	50943906
Reduced:	N2O6C15H26 (1)
Stoich.:	A2B6C15D26 (1)
Weight, g/mol:	316.236208
ΔH_f, kcal/mol:	-263.72
Dipole, Da:	3.13
IP(EA), eV:	-9.86(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-[[(3R)-4-hydroxy-3-methylbutyl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)NCCC(C)CO)NC(=O)[C@@H]1[C@H](O1)C(=O)O

DOS

IR

Vibrations