Geometry & MOs

Info

ID:

47530

PubChem CID:

10533896

Reduced:

N7O14C47H67 (1)

Stoich.:

A7B14C47D67 (1)

Weight, g/mol:

954.431613

ΔHf, kcal/mol:

-622.01

Dipole, Da:

6.06

IP(EA), eV:

 -9.52(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[(2S)-4-methyl-1-[[(2S)-1-[[(E,4S)-1-(5-nitro-2,3-dihydroindol-1-yl)-1,7-dioxo-7-(tritylamino)hept-2-en-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(=O)OCC1=CC=CC=C1)C(=O)OC)NC(=O)CN(C)C(=O)CC[C@H](C(=O)OC)NC(=O)CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations