Geometry & MOs

Info

ID:

17648

PubChem CID:

509734

Reduced:

S3N5O6C28H33 (1)

Stoich.:

A3B5C6D28E33 (1)

Weight, g/mol:

631.159297

ΔHf, kcal/mol:

-165.85

Dipole, Da:

2.76

IP(EA), eV:

 -9.45(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,3-thiazol-5-ylmethyl N-[(2S,3R)-4-[(2-acetamido-1,3-benzothiazol-6-yl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)OCC2=CN=CS2)O)S(=O)(=O)C3=CC4=C(C=C3)N=C(S4)NC(=O)C

DOS

IR

Vibrations