Geometry & MOs

Info

ID:

15698

PubChem CID:

447417

Reduced:

N3O7C36H41 (1)

Stoich.:

A3B7C36D41 (1)

Weight, g/mol:

627.294451

ΔHf, kcal/mol:

-248.04

Dipole, Da:

3.88

IP(EA), eV:

 -8.86(0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

oxolan-3-yl N-[(2S,3S)-4-[(5S)-5-benzyl-3-[(1R,2R)-2-carbamoyloxy-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-1,2-dihydropyrrol-5-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1COCC1OC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@]3(C(=C(CN3)[C@@H]4[C@@H](CC5=CC=CC=C45)OC(=O)N)O)CC6=CC=CC=C6)O

DOS

IR

Vibrations