Geometry & MOs

Info

ID:	46554
PubChem CID:	10525156
Reduced:	N4O4C21H30 (1)
Stoich.:	A4B4C21D30 (1)
Weight, g/mol:	402.272987
ΔH_f, kcal/mol:	-139.54
Dipole, Da:	5.7
IP(EA), eV:	-8.61(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=N\NC1=CC=C(C=C1)CC2COC(=O)N2)/CC3CCN(CC3)C

DOS

IR

Vibrations