Geometry & MOs

Info

ID:	316071
PubChem CID:	126629928
Reduced:	FIOC3H4 (1)
Stoich.:	ABCD3E4 (1)
Weight, g/mol:	412.26857
ΔH_f, kcal/mol:	-56.35
Dipole, Da:	0.5
IP(EA), eV:	-10.29(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[[(2S)-1-[3-[(Z)-1-hydroxyprop-1-enyl]diazinan-1-yl]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1C(CO1)(F)I

DOS

IR

Vibrations