Geometry & MOs

Info

ID:

47116

PubChem CID:

10529705

Reduced:

SN4O6C25H26 (1)

Stoich.:

AB4C6D25E26 (1)

Weight, g/mol:

510.251206

ΔHf, kcal/mol:

-106.33

Dipole, Da:

15.4

IP(EA), eV:

 -9.06(-1.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2S)-3-[[5-(4-aminobutyl)-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate

Drug info:

PubChemData

Smile

CS(=O)(=O)[O-].C1=CC=C(C=C1)CNC(=O)/C=C/C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)[NH+]=C(N)N

DOS

IR

Vibrations