Geometry & MOs

Info

ID:

179371

PubChem CID:

76472877

Reduced:

S2N5O5C23H27 (1)

Stoich.:

A2B5C5D23E27 (1)

Weight, g/mol:

721.30801

ΔHf, kcal/mol:

-78.13

Dipole, Da:

9.25

IP(EA), eV:

 -9.62(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,2-thiazol-3-ylmethyl N-[3-hydroxy-4-[[[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-phenylmethyl]amino]-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(N2C(C(C2=O)OC)SC1(CC3=CC=C(C=C3)C(=O)O)SC4=NN=NN4C)C(=O)C(C)(C)C

DOS

IR

Vibrations