Geometry & MOs

Info

ID:

17059

PubChem CID:

482965

Reduced:

S2N7O7C41H55 (1)

Stoich.:

A2B7C7D41E55 (1)

Weight, g/mol:

821.360439

ΔHf, kcal/mol:

-243.72

Dipole, Da:

6.81

IP(EA), eV:

 -9.43(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[(2S)-1-[[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-(1,3-thiazol-5-ylmethoxycarbonylamino)hexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]carbamate

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CS1)CN(C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations