Geometry & MOs

Info

ID:	148944
PubChem CID:	53788614
Reduced:	N2O4C33H63 (1)
Stoich.:	A2B4C33D63 (1)
Weight, g/mol:	516.243579
ΔH_f, kcal/mol:	-253.43
Dipole, Da:	4.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.767086
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5,5-difluoro-8-methyl-4,6-dioxo-2-phenylnonanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCNC(=O)O[N+]1(C(CCCC1(C)C)(C)C)C=CC(=O)OCC

DOS

IR

Vibrations