Geometry & MOs

Info

ID:

219930

PubChem CID:

85165056

Reduced:

PN4O14C23H35 (1)

Stoich.:

AB4C14D23E35 (1)

Weight, g/mol:

618.255286

ΔHf, kcal/mol:

-680.63

Dipole, Da:

7.73

IP(EA), eV:

 -10.02(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl [(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-enyl]amino] carbonate

Drug info:

PubChemData

Smile

COC1C(C2COP(=O)(OCCCC3CN(C1O2)C(=O)NC3=O)OC4C(OC(C4OC)N5CCC(=O)NC5=O)CO)O

DOS

IR

Vibrations