Geometry & MOs

Info

ID:

16255

PubChem CID:

462812

Reduced:

N6O7C49H56 (1)

Stoich.:

A6B7C49D56 (1)

Weight, g/mol:

840.421048

ΔHf, kcal/mol:

-221.29

Dipole, Da:

7.77

IP(EA), eV:

 -8.78(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[(2S)-1-[[(2S,3R,4R)-3-hydroxy-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-5-oxo-1-phenyl-4-[[4-[(phenylcarbamoylamino)methyl]phenyl]methylamino]pentan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H]([C@H](C(=O)NC2C(CC3=CC=CC=C23)O)NCC4=CC=C(C=C4)CNC(=O)NC5=CC=CC=C5)O)NC(=O)OCC6=CC=CC=C6

DOS

IR

Vibrations