Geometry & MOs

Info

ID:

419450

PubChem CID:

135108196

Reduced:

SO5N6C33H52 (1)

Stoich.:

AB5C6D33E52 (1)

Weight, g/mol:

749.411212

ΔHf, kcal/mol:

-239.23

Dipole, Da:

3.69

IP(EA), eV:

 -8.73(0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[[(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]amino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCSC)C(C)C)C(=O)CCC2CCN(CC2)C)CC3=CC=CC=C3

DOS

IR

Vibrations