Geometry & MOs

Info

ID:

420201

PubChem CID:

135111799

Reduced:

OSN4C13H22 (1)

Stoich.:

ABC4D13E22 (1)

Weight, g/mol:

752.353363

ΔHf, kcal/mol:

0.38

Dipole, Da:

3.89

IP(EA), eV:

 -8.72(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(9S,12S,15R)-12-benzyl-24-methoxy-4,10,13,16-tetraoxo-15-propan-2-yl-2-oxa-5,11,14,17-tetrazabicyclo[19.3.1]pentacosa-1(24),21(25),22-trien-9-yl]-3-phenyl-1,2-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(S1)N2C[C@H]3CN([C@@H](C2)COC3)C

DOS

IR

Vibrations