Geometry & MOs

Info

ID:

219323

PubChem CID:

85098753

Reduced:

BrN4O11C37H37 (1)

Stoich.:

AB4C11D37E37 (1)

Weight, g/mol:

794.251617

ΔHf, kcal/mol:

-165.98

Dipole, Da:

13.71

IP(EA), eV:

 -7.74(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,3-thiazol-5-ylmethyl N-[3-hydroxy-6-(3-hydroxy-4-oxopyridin-1-yl)-5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-2-(3-oxo-1,2-oxazol-5-yl)acetyl]amino]-1-phenylhexan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1(C(=O)C2=C3C(CN(C3=CC(=C2N1)OC(=O)CCNC(=O)OCC4=CC=CC=C4)C(=O)C5=CC6=CC(=C(C(=C6N5)OC)OC)OC)CBr)C(=O)OC

DOS

IR

Vibrations