Geometry & MOs

Info

ID:

180419

PubChem CID:

76629937

Reduced:

N9O9C36H67 (1)

Stoich.:

A9B9C36D67 (1)

Weight, g/mol:

575.187226

ΔHf, kcal/mol:

-452.9

Dipole, Da:

9.04

IP(EA), eV:

 -9.12(0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(4-acetyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-yl]-2-(4-cyclopropylsulfonylphenyl)-2-(oxolan-3-yloxyimino)acetamide

Drug info:

PubChemData

Smile

CC1CC2C(CC1C)N(C3C(N2)C(=O)NC(=O)N3)CCCCCC(=O)NCCCCCCOC4C(C(CC(C4OC5C(C(C(C(O5)CN)O)O)N)N)N)O

DOS

IR

Vibrations